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1 | ·f6e80bb18f990aabd2bd854d0fe5582a·415020·libdevel·optional·librdkit-dev_202309.3-3_amd64.deb | 1 | ·f6e80bb18f990aabd2bd854d0fe5582a·415020·libdevel·optional·librdkit-dev_202309.3-3_amd64.deb |
2 | ·38dabb0e14f777076aa42db3596bde3a·104579960·debug·optional·librdkit1-dbgsym_202309.3-3_amd64.deb | ||
3 | · | 2 | ·bb51e50d7c2bf92b332cf556f60bb388·104581340·debug·optional·librdkit1-dbgsym_202309.3-3_amd64.deb |
3 | ·5025dc46fd06e146bf97581d8174e558·4911116·libs·optional·librdkit1_202309.3-3_amd64.deb | ||
4 | ·7d9e1995d7c9f9034c3f013649f71767·1109808·debug·optional·postgresql-16-rdkit-dbgsym_202309.3-3_amd64.deb | 4 | ·7d9e1995d7c9f9034c3f013649f71767·1109808·debug·optional·postgresql-16-rdkit-dbgsym_202309.3-3_amd64.deb |
5 | ·caf9144ae9741cea0e25361ec9b8b415·491752·database·optional·postgresql-16-rdkit_202309.3-3_amd64.deb | 5 | ·caf9144ae9741cea0e25361ec9b8b415·491752·database·optional·postgresql-16-rdkit_202309.3-3_amd64.deb |
6 | ·551991fca0c06b097a38eaf0238ae119·56074260·debug·optional·python3-rdkit-dbgsym_202309.3-3_amd64.deb | 6 | ·551991fca0c06b097a38eaf0238ae119·56074260·debug·optional·python3-rdkit-dbgsym_202309.3-3_amd64.deb |
7 | ·bdab7f7888c57e450b0eae2d1aa5c452·4551452·python·optional·python3-rdkit_202309.3-3_amd64.deb | 7 | ·bdab7f7888c57e450b0eae2d1aa5c452·4551452·python·optional·python3-rdkit_202309.3-3_amd64.deb |
8 | ·8eda89e92cd468edcc71359354aa1727·13114540·science·optional·rdkit-data_202309.3-3_all.deb | 8 | ·8eda89e92cd468edcc71359354aa1727·13114540·science·optional·rdkit-data_202309.3-3_all.deb |
9 | · | 9 | ·22851b3dc74b850ecf01f7ab4ad65908·8709692·doc·optional·rdkit-doc_202309.3-3_all.deb |
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1 | -rw-r--r--···0········0········0········4·2024-02-28·09:43:17.000000·debian-binary | 1 | -rw-r--r--···0········0········0········4·2024-02-28·09:43:17.000000·debian-binary |
2 | -rw-r--r--···0········0········0·····3320·2024-02-28·09:43:17.000000·control.tar.xz | 2 | -rw-r--r--···0········0········0·····3320·2024-02-28·09:43:17.000000·control.tar.xz |
3 | -rw-r--r--···0········0········0··4907 | 3 | -rw-r--r--···0········0········0··4907604·2024-02-28·09:43:17.000000·data.tar.xz |
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1 | Displaying·notes·found·in:·.note.gnu.build-id | 1 | Displaying·notes·found·in:·.note.gnu.build-id |
2 | ··Owner················Data·size·» Description | 2 | ··Owner················Data·size·» Description |
3 | ··GNU··················0x00000014» NT_GNU_BUILD_ID·(unique·build·ID·bitstring)» ····Build·ID:· | 3 | ··GNU··················0x00000014» NT_GNU_BUILD_ID·(unique·build·ID·bitstring)» ····Build·ID:·c4c9be5beef27d82665c3e36b2421f4b99595bcf |
Offset 622, 15 lines modified | Offset 622, 15 lines modified | ||
622 | numerator·>=·0·&&·numerator·<=·divisor | 622 | numerator·>=·0·&&·numerator·<=·divisor |
623 | void·boost::io::detail::put(T,·const·format_item<Ch,·Tr,·Alloc>&,·typename·boost::basic_format<Ch,·Tr,·Alloc>::string_type&,·typename·boost::basic_format<Ch,·Tr,·Alloc>::internal_streambuf_t&,·locale_t*)·[with·Ch·=·char;·Tr·=·std::char_traits<char>;·Alloc·=·std::allocator<char>;·T·=·const·put_holder<char,·std::char_traits<char>·>&;·typename·boost::basic_format<Ch,·Tr,·Alloc>::string_type·=·std::__cxx11::basic_string<char>;·typename·boost::basic_format<Ch,·Tr,·Alloc>::internal_streambuf_t·=·boost::io::basic_altstringbuf<char,·std::char_traits<char>,·std::allocator<char>·>;·locale_t·=·std::locale] | 623 | void·boost::io::detail::put(T,·const·format_item<Ch,·Tr,·Alloc>&,·typename·boost::basic_format<Ch,·Tr,·Alloc>::string_type&,·typename·boost::basic_format<Ch,·Tr,·Alloc>::internal_streambuf_t&,·locale_t*)·[with·Ch·=·char;·Tr·=·std::char_traits<char>;·Alloc·=·std::allocator<char>;·T·=·const·put_holder<char,·std::char_traits<char>·>&;·typename·boost::basic_format<Ch,·Tr,·Alloc>::string_type·=·std::__cxx11::basic_string<char>;·typename·boost::basic_format<Ch,·Tr,·Alloc>::internal_streambuf_t·=·boost::io::basic_altstringbuf<char,·std::char_traits<char>,·std::allocator<char>·>;·locale_t·=·std::locale] |
624 | /usr/include/boost/format/feed_args.hpp | 624 | /usr/include/boost/format/feed_args.hpp |
625 | res.size()·==·static_cast<size_type>(w) | 625 | res.size()·==·static_cast<size_type>(w) |
626 | boost::basic_format<Ch,·Tr,·Alloc>&·boost::basic_format<Ch,·Tr,·Alloc>::clear()·[with·Ch·=·char;·Tr·=·std::char_traits<char>;·Alloc·=·std::allocator<char>] | 626 | boost::basic_format<Ch,·Tr,·Alloc>&·boost::basic_format<Ch,·Tr,·Alloc>::clear()·[with·Ch·=·char;·Tr·=·std::char_traits<char>;·Alloc·=·std::allocator<char>] |
627 | bound_.size()==0·||·num_args_·==·static_cast<int>(bound_.size()) | 627 | bound_.size()==0·||·num_args_·==·static_cast<int>(bound_.size()) |
628 | cannot·create·std::vector·larger·than·max_size() | 628 | cannot·create·std::vector·larger·than·max_size() |
629 | Linux|6. | 629 | Linux|6.1.0-21-amd64|UNIX|GNU|64-bit |
630 | 000102030405060708091011121314151617181920212223242526272829303132333435363738394041424344454647484950515253545556575859606162636465666768697071727374757677787980818283848586878889909192939495293949596979899 | 630 | 000102030405060708091011121314151617181920212223242526272829303132333435363738394041424344454647484950515253545556575859606162636465666768697071727374757677787980818283848586878889909192939495293949596979899 |
631 | N5boost16base_from_memberINS_10shared_ptrINS_2io18basic_altstringbufIcSt11char_traitsIcESaIcEEEEELi0EEE | 631 | N5boost16base_from_memberINS_10shared_ptrINS_2io18basic_altstringbufIcSt11char_traitsIcESaIcEEEEELi0EEE |
632 | N5boost2io22basic_oaltstringstreamIcSt11char_traitsIcESaIcEE5No_OpE | 632 | N5boost2io22basic_oaltstringstreamIcSt11char_traitsIcESaIcEE5No_OpE |
633 | N5boost9exceptionE | 633 | N5boost9exceptionE |
634 | N5boost16exception_detail10clone_baseE | 634 | N5boost16exception_detail10clone_baseE |
635 | N5boost6detail15sp_counted_baseE | 635 | N5boost6detail15sp_counted_baseE |
636 | N5boost2io12format_errorE | 636 | N5boost2io12format_errorE |
Offset 327, 17 lines modified | Offset 327, 17 lines modified | ||
327 | ··0x0001d440·207c7c20·6e756d5f·61726773·5f203d3d··||·num_args_·== | 327 | ··0x0001d440·207c7c20·6e756d5f·61726773·5f203d3d··||·num_args_·== |
328 | ··0x0001d450·20737461·7469635f·63617374·3c696e74··static_cast<int | 328 | ··0x0001d450·20737461·7469635f·63617374·3c696e74··static_cast<int |
329 | ··0x0001d460·3e28626f·756e645f·2e73697a·65282929·>(bound_.size()) | 329 | ··0x0001d460·3e28626f·756e645f·2e73697a·65282929·>(bound_.size()) |
330 | ··0x0001d470·00000000·00000000·63616e6e·6f742063·........cannot·c | 330 | ··0x0001d470·00000000·00000000·63616e6e·6f742063·........cannot·c |
331 | ··0x0001d480·72656174·65207374·643a3a76·6563746f·reate·std::vecto | 331 | ··0x0001d480·72656174·65207374·643a3a76·6563746f·reate·std::vecto |
332 | ··0x0001d490·72206c61·72676572·20746861·6e206d61·r·larger·than·ma | 332 | ··0x0001d490·72206c61·72676572·20746861·6e206d61·r·larger·than·ma |
333 | ··0x0001d4a0·785f7369·7a652829·00000000·00000000·x_size()........ | 333 | ··0x0001d4a0·785f7369·7a652829·00000000·00000000·x_size()........ |
334 | ··0x0001d4b0·4c696e75·787c362e·3 | 334 | ··0x0001d4b0·4c696e75·787c362e·312e302d·32312d61·Linux|6.1.0-21-a |
335 | ··0x0001d4c0· | 335 | ··0x0001d4c0·6d643634·7c554e49·587c474e·557c3634·md64|UNIX|GNU|64 |
336 | ··0x0001d4d0· | 336 | ··0x0001d4d0·2d626974·00000000·00000000·00000000·-bit............ |
337 | ··0x0001d4e0·30303031·30323033·30343035·30363037·0001020304050607 | 337 | ··0x0001d4e0·30303031·30323033·30343035·30363037·0001020304050607 |
338 | ··0x0001d4f0·30383039·31303131·31323133·31343135·0809101112131415 | 338 | ··0x0001d4f0·30383039·31303131·31323133·31343135·0809101112131415 |
339 | ··0x0001d500·31363137·31383139·32303231·32323233·1617181920212223 | 339 | ··0x0001d500·31363137·31383139·32303231·32323233·1617181920212223 |
340 | ··0x0001d510·32343235·32363237·32383239·33303331·2425262728293031 | 340 | ··0x0001d510·32343235·32363237·32383239·33303331·2425262728293031 |
341 | ··0x0001d520·33323333·33343335·33363337·33383339·3233343536373839 | 341 | ··0x0001d520·33323333·33343335·33363337·33383339·3233343536373839 |
342 | ··0x0001d530·34303431·34323433·34343435·34363437·4041424344454647 | 342 | ··0x0001d530·34303431·34323433·34343435·34363437·4041424344454647 |
343 | ··0x0001d540·34383439·35303531·35323533·35343535·4849505152535455 | 343 | ··0x0001d540·34383439·35303531·35323533·35343535·4849505152535455 |
Offset 1, 7 lines modified | Offset 1, 7 lines modified | ||
1 | Hex·dump·of·section·'.gnu_debuglink': | 1 | Hex·dump·of·section·'.gnu_debuglink': |
2 | ··0x00000000·63393431·30633132·61653631·35353265·c9410c12ae61552e | ||
3 | ··0x000000 | 2 | ··0x00000000·63396265·35626565·66323764·38323636·c9be5beef27d8266 |
3 | ··0x00000010·35633365·33366232·34323166·34623939·5c3e36b2421f4b99 | ||
4 | ··0x00000020· | 4 | ··0x00000020·35393562·63662e64·65627567·00000000·595bcf.debug.... |
5 | ··0x00000030· | 5 | ··0x00000030·f7249f17····························.$.. |
Offset 1, 13 lines modified | Offset 1, 13 lines modified | ||
1 | ··Streams:···········1 | 1 | ··Streams:···········1 |
2 | ··Blocks:············1 | 2 | ··Blocks:············1 |
3 | ··Compressed·size:···4792. | 3 | ··Compressed·size:···4792.6·KiB·(4907604·B) |
4 | ··Uncompressed·size:·20.9·MiB·(21882880·B) | 4 | ··Uncompressed·size:·20.9·MiB·(21882880·B) |
5 | ··Ratio:·············0.224 | 5 | ··Ratio:·············0.224 |
6 | ··Check:·············CRC64 | 6 | ··Check:·············CRC64 |
7 | ··Stream·Padding:····0·B | 7 | ··Stream·Padding:····0·B |
8 | ··Streams: | 8 | ··Streams: |
9 | ····Stream····Blocks······CompOffset····UncompOffset········CompSize······UncompSize··Ratio··Check······Padding | 9 | ····Stream····Blocks······CompOffset····UncompOffset········CompSize······UncompSize··Ratio··Check······Padding |
10 | ·········1·········1···············0···············0·········4907 | 10 | ·········1·········1···············0···············0·········4907604········21882880··0.224··CRC64············0 |
11 | ··Blocks: | 11 | ··Blocks: |
12 | ····Stream·····Block······CompOffset····UncompOffset·······TotalSize······UncompSize··Ratio··Check | 12 | ····Stream·····Block······CompOffset····UncompOffset·······TotalSize······UncompSize··Ratio··Check |
13 | ·········1·········1··············12···············0·········4907 | 13 | ·········1·········1··············12···············0·········4907564········21882880··0.224··CRC64 |
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1 | -rw-r--r--···0········0········0········4·2024-02-28·09:43:17.000000·debian-binary | 1 | -rw-r--r--···0········0········0········4·2024-02-28·09:43:17.000000·debian-binary |
2 | -rw-r--r--···0········0········0···1069 | 2 | -rw-r--r--···0········0········0···106912·2024-02-28·09:43:17.000000·control.tar.xz |
3 | -rw-r--r--···0········0········0··8602 | 3 | -rw-r--r--···0········0········0··8602588·2024-02-28·09:43:17.000000·data.tar.xz |
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1 | ··Streams:···········1 | 1 | ··Streams:···········1 |
2 | ··Blocks:············1 | 2 | ··Blocks:············1 |
3 | ··Compressed·size:···104.4·KiB·(1069 | 3 | ··Compressed·size:···104.4·KiB·(106912·B) |
4 | ··Uncompressed·size:·470.0·KiB·(481280·B) | 4 | ··Uncompressed·size:·470.0·KiB·(481280·B) |
5 | ··Ratio:·············0.222 | 5 | ··Ratio:·············0.222 |
6 | ··Check:·············CRC64 | 6 | ··Check:·············CRC64 |
7 | ··Stream·Padding:····0·B | 7 | ··Stream·Padding:····0·B |
8 | ··Streams: | 8 | ··Streams: |
9 | ····Stream····Blocks······CompOffset····UncompOffset········CompSize······UncompSize··Ratio··Check······Padding | 9 | ····Stream····Blocks······CompOffset····UncompOffset········CompSize······UncompSize··Ratio··Check······Padding |
10 | ·········1·········1···············0···············0··········1069 | 10 | ·········1·········1···············0···············0··········106912··········481280··0.222··CRC64············0 |
11 | ··Blocks: | 11 | ··Blocks: |
12 | ····Stream·····Block······CompOffset····UncompOffset·······TotalSize······UncompSize··Ratio··Check | 12 | ····Stream·····Block······CompOffset····UncompOffset·······TotalSize······UncompSize··Ratio··Check |
13 | ·········1·········1··············12···············0··········10687 | 13 | ·········1·········1··············12···············0··········106876··········481280··0.222··CRC64 |
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3904 | -rw-r--r--···0·root·········(0)·root·········(0)·····5685·2024-02-28·09:43:17.000000·./usr/share/doc/rdkit/html/cppapi/resize.js | 3904 | -rw-r--r--···0·root·········(0)·root·········(0)·····5685·2024-02-28·09:43:17.000000·./usr/share/doc/rdkit/html/cppapi/resize.js |
3905 | -rw-r--r--···0·root·········(0)·root·········(0)·····6335·2024-02-28·09:43:17.000000·./usr/share/doc/rdkit/html/cppapi/roboto__regular_8h.html | 3905 | -rw-r--r--···0·root·········(0)·root·········(0)·····6335·2024-02-28·09:43:17.000000·./usr/share/doc/rdkit/html/cppapi/roboto__regular_8h.html |
3906 | -rw-r--r--···0·root·········(0)·root·········(0)······125·2024-02-28·09:43:17.000000·./usr/share/doc/rdkit/html/cppapi/roboto__regular_8h.js | 3906 | -rw-r--r--···0·root·········(0)·root·········(0)······125·2024-02-28·09:43:17.000000·./usr/share/doc/rdkit/html/cppapi/roboto__regular_8h.js |
3907 | -rw-r--r--···0·root·········(0)·root·········(0)··2336799·2024-02-28·09:43:17.000000·./usr/share/doc/rdkit/html/cppapi/roboto__regular_8h_source.html | 3907 | -rw-r--r--···0·root·········(0)·root·········(0)··2336799·2024-02-28·09:43:17.000000·./usr/share/doc/rdkit/html/cppapi/roboto__regular_8h_source.html |
3908 | drwxr-xr-x···0·root·········(0)·root·········(0)········0·2024-02-28·09:43:17.000000·./usr/share/doc/rdkit/html/cppapi/search/ | 3908 | drwxr-xr-x···0·root·········(0)·root·········(0)········0·2024-02-28·09:43:17.000000·./usr/share/doc/rdkit/html/cppapi/search/ |
3909 | -rw-r--r--···0·root·········(0)·root·········(0)······106·2024-02-28·09:43:17.000000·./usr/share/doc/rdkit/html/cppapi/search/all_0.js | 3909 | -rw-r--r--···0·root·········(0)·root·········(0)······106·2024-02-28·09:43:17.000000·./usr/share/doc/rdkit/html/cppapi/search/all_0.js |
3910 | -rw-r--r--···0·root·········(0)·root·········(0)······300·2024-02-28·09:43:17.000000·./usr/share/doc/rdkit/html/cppapi/search/all_1.js | 3910 | -rw-r--r--···0·root·········(0)·root·········(0)······300·2024-02-28·09:43:17.000000·./usr/share/doc/rdkit/html/cppapi/search/all_1.js |
3911 | -rw-r--r--···0·root·········(0)·root·········(0)···11 | 3911 | -rw-r--r--···0·root·········(0)·root·········(0)···112011·2024-02-28·09:43:17.000000·./usr/share/doc/rdkit/html/cppapi/search/all_10.js |
3912 | -rw-r--r--···0·root·········(0)·root·········(0)····30754·2024-02-28·09:43:17.000000·./usr/share/doc/rdkit/html/cppapi/search/all_11.js | 3912 | -rw-r--r--···0·root·········(0)·root·········(0)····30754·2024-02-28·09:43:17.000000·./usr/share/doc/rdkit/html/cppapi/search/all_11.js |
3913 | -rw-r--r--···0·root·········(0)·root·········(0)····73713·2024-02-28·09:43:17.000000·./usr/share/doc/rdkit/html/cppapi/search/all_12.js | 3913 | -rw-r--r--···0·root·········(0)·root·········(0)····73713·2024-02-28·09:43:17.000000·./usr/share/doc/rdkit/html/cppapi/search/all_12.js |
3914 | -rw-r--r--···0·root·········(0)·root·········(0)····56410·2024-02-28·09:43:17.000000·./usr/share/doc/rdkit/html/cppapi/search/all_13.js | 3914 | -rw-r--r--···0·root·········(0)·root·········(0)····56410·2024-02-28·09:43:17.000000·./usr/share/doc/rdkit/html/cppapi/search/all_13.js |
3915 | -rw-r--r--···0·root·········(0)·root·········(0)····15633·2024-02-28·09:43:17.000000·./usr/share/doc/rdkit/html/cppapi/search/all_14.js | 3915 | -rw-r--r--···0·root·········(0)·root·········(0)····15633·2024-02-28·09:43:17.000000·./usr/share/doc/rdkit/html/cppapi/search/all_14.js |
3916 | -rw-r--r--···0·root·········(0)·root·········(0)···107330·2024-02-28·09:43:17.000000·./usr/share/doc/rdkit/html/cppapi/search/all_15.js | 3916 | -rw-r--r--···0·root·········(0)·root·········(0)···107330·2024-02-28·09:43:17.000000·./usr/share/doc/rdkit/html/cppapi/search/all_15.js |
3917 | -rw-r--r--···0·root·········(0)·root·········(0)···119400·2024-02-28·09:43:17.000000·./usr/share/doc/rdkit/html/cppapi/search/all_16.js | 3917 | -rw-r--r--···0·root·········(0)·root·········(0)···119400·2024-02-28·09:43:17.000000·./usr/share/doc/rdkit/html/cppapi/search/all_16.js |
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318 | ····]], | 318 | ····]], |
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320 | ····['matrix_3c_20double_20_3e_161',·['Matrix<·double·>',·['../classRDNumeric_1_1Matrix.html',·1,·'RDNumeric']]], | 320 | ····['matrix_3c_20double_20_3e_161',·['Matrix<·double·>',·['../classRDNumeric_1_1Matrix.html',·1,·'RDNumeric']]], |
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355 | ····['maxmolsize_188',·['MaxMolSize',·['../structRDKit_1_1StructureCheck_1_1StructCheckerOptions.html#a69c14aadf086e6cd4cacc92df61a6f04',·1,·'RDKit::StructureCheck::StructCheckerOptions']]], | 355 | ····['maxmolsize_188',·['MaxMolSize',·['../structRDKit_1_1StructureCheck_1_1StructCheckerOptions.html#a69c14aadf086e6cd4cacc92df61a6f04',·1,·'RDKit::StructureCheck::StructCheckerOptions']]], |
356 | ····['maxnumbranches_189',·['maxNumBranches',·['../namespaceRDKit_1_1AtomPairs.html#a98c089f342a9343e0b73ecf12fe60f8f',·1,·'RDKit::AtomPairs']]], | 356 | ····['maxnumbranches_189',·['maxNumBranches',·['../namespaceRDKit_1_1AtomPairs.html#a98c089f342a9343e0b73ecf12fe60f8f',·1,·'RDKit::AtomPairs']]], |
357 | ····['maxnumfrags_190',·['maxNumFrags',·['../structRDKit_1_1RascalMCES_1_1RascalClusterOptions.html#a5613c8d0e528c30f9fceb1995cef56b2',·1,·'RDKit::RascalMCES::RascalClusterOptions']]], | 357 | ····['maxnumfrags_190',·['maxNumFrags',·['../structRDKit_1_1RascalMCES_1_1RascalClusterOptions.html#a5613c8d0e528c30f9fceb1995cef56b2',·1,·'RDKit::RascalMCES::RascalClusterOptions']]], |
358 | ····['maxnumpi_191',·['maxNumPi',·['../namespaceRDKit_1_1AtomPairs.html#a45a634084ea4bdc6ae8c82c9f1fc671c',·1,·'RDKit::AtomPairs']]], | 358 | ····['maxnumpi_191',·['maxNumPi',·['../namespaceRDKit_1_1AtomPairs.html#a45a634084ea4bdc6ae8c82c9f1fc671c',·1,·'RDKit::AtomPairs']]], |
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383 | ····['mcsbondcomparefunction_216',·['MCSBondCompareFunction',·['../namespaceRDKit.html#a598a2f9c7cb0ccc42d8d6da2cc11cdbe',·1,·'RDKit']]], | 383 | ····['mcsbondcomparefunction_216',·['MCSBondCompareFunction',·['../namespaceRDKit.html#a598a2f9c7cb0ccc42d8d6da2cc11cdbe',·1,·'RDKit']]], |
384 | ····['mcsbondcompareorder_217',·['MCSBondCompareOrder',·['../namespaceRDKit.html#a81839a4bf84a0e7cf5c61b36f35fb020',·1,·'RDKit']]], | 384 | ····['mcsbondcompareorder_217',·['MCSBondCompareOrder',·['../namespaceRDKit.html#a81839a4bf84a0e7cf5c61b36f35fb020',·1,·'RDKit']]], |
385 | ····['mcsbondcompareorderexact_218',·['MCSBondCompareOrderExact',·['../namespaceRDKit.html#afc4bdcd9aa5b955abc3a5fec47920486',·1,·'RDKit']]], | 385 | ····['mcsbondcompareorderexact_218',·['MCSBondCompareOrderExact',·['../namespaceRDKit.html#afc4bdcd9aa5b955abc3a5fec47920486',·1,·'RDKit']]], |
386 | ····['mcsbondcompareparameters_219',·['MCSBondCompareParameters',·['../structRDKit_1_1MCSBondCompareParameters.html',·1,·'RDKit']]], | 386 | ····['mcsbondcompareparameters_219',·['MCSBondCompareParameters',·['../structRDKit_1_1MCSBondCompareParameters.html',·1,·'RDKit']]], |
387 | ····['mcsfinalmatchcheckfunction_220',·['MCSFinalMatchCheckFunction',·['../namespaceRDKit.html#a514777adf87b7086df06a31396d155b0',·1,·'RDKit']]], | 387 | ····['mcsfinalmatchcheckfunction_220',·['MCSFinalMatchCheckFunction',·['../namespaceRDKit.html#a514777adf87b7086df06a31396d155b0',·1,·'RDKit']]], |
388 | ····['mcsfoundstep_221',·['MCSFoundStep',·['../structRDKit_1_1FMCS_1_1ExecStatistics.html#a5ce9d84914d9e982ad7024c14e6cc895',·1,·'RDKit::FMCS::ExecStatistics']]], | 388 | ····['mcsfoundstep_221',·['MCSFoundStep',·['../structRDKit_1_1FMCS_1_1ExecStatistics.html#a5ce9d84914d9e982ad7024c14e6cc895',·1,·'RDKit::FMCS::ExecStatistics']]], |
389 | ····['mcsfoundtime_222',·['MCSFoundTime',·['../structRDKit_1_1FMCS_1_1ExecStatistics.html#a0ce8bbeb0b4ba3f441d2ee2d9e7b8a63',·1,·'RDKit::FMCS::ExecStatistics']]], | 389 | ····['mcsfoundtime_222',·['MCSFoundTime',·['../structRDKit_1_1FMCS_1_1ExecStatistics.html#a0ce8bbeb0b4ba3f441d2ee2d9e7b8a63',·1,·'RDKit::FMCS::ExecStatistics']]], |
390 | ····['mcsparameters_223',·['mcsparameters',·['../structRDKit_1_1MCSParameters.html#a482b3ac90edc7367929eac87ea619992',·1,·'RDKit::MCSParameters::MCSParameters()'], | 390 | ····['mcsparameters_223',·['mcsparameters',·['../structRDKit_1_1MCSParameters.html#a482b3ac90edc7367929eac87ea619992',·1,·'RDKit::MCSParameters::MCSParameters(const·MCSParameters·&other)=default'], |
391 | ········['../structRDKit_1_1MCSParameters.html',·1,·'RDKit::MCSParameters'], | 391 | ········['../structRDKit_1_1MCSParameters.html#a1b79cbb3b993c721857d1914f7c8980d',·1,·'RDKit::MCSParameters::MCSParameters(const·MCSParameters·*other)'], |
392 | ········['../structRDKit_1_1MCSParameters.html#a5467a604353e72c346a1f84e12176820',·1,·'RDKit::MCSParameters::MCSParameters()'], | 392 | ········['../structRDKit_1_1MCSParameters.html#a5467a604353e72c346a1f84e12176820',·1,·'RDKit::MCSParameters::MCSParameters()'], |
393 | ········['../structRDKit_1_1MCSParameters.html | 393 | ········['../structRDKit_1_1MCSParameters.html',·1,·'RDKit::MCSParameters'] |
394 | ····]], | 394 | ····]], |
395 | ····['mcsparametersinternal_224',·['mcsparametersinternal',·['../structRDKit_1_1detail_1_1MCSParametersInternal.html#a158aecb6ecdff5cc126b91eb977c080e',·1,·'RDKit::detail::MCSParametersInternal::MCSParametersInternal()'], | 395 | ····['mcsparametersinternal_224',·['mcsparametersinternal',·['../structRDKit_1_1detail_1_1MCSParametersInternal.html#a158aecb6ecdff5cc126b91eb977c080e',·1,·'RDKit::detail::MCSParametersInternal::MCSParametersInternal()'], |
396 | ········['../structRDKit_1_1detail_1_1MCSParametersInternal.html#a35887644a6fe96b09af914cddcc7f9e7',·1,·'RDKit::detail::MCSParametersInternal::MCSParametersInternal(const·MCSParameters·*params)'], | ||
397 | ········['../structRDKit_1_1detail_1_1MCSParametersInternal.html',·1,·'RDKit::detail::MCSParametersInternal'] | 396 | ········['../structRDKit_1_1detail_1_1MCSParametersInternal.html',·1,·'RDKit::detail::MCSParametersInternal'], |
397 | ········['../structRDKit_1_1detail_1_1MCSParametersInternal.html#a35887644a6fe96b09af914cddcc7f9e7',·1,·'RDKit::detail::MCSParametersInternal::MCSParametersInternal()'] | ||
398 | ····]], | 398 | ····]], |
399 | ····['mcsprogresscallback_225',·['MCSProgressCallback',·['../namespaceRDKit.html#ae210b5f4a01235bfaee0ee9ade1450c8',·1,·'RDKit']]], | 399 | ····['mcsprogresscallback_225',·['MCSProgressCallback',·['../namespaceRDKit.html#ae210b5f4a01235bfaee0ee9ade1450c8',·1,·'RDKit']]], |
400 | ····['mcsprogresscallbacktimeout_226',·['MCSProgressCallbackTimeout',·['../namespaceRDKit.html#ae23f3577f71c3e45f35466ac995c957b',·1,·'RDKit']]], | 400 | ····['mcsprogresscallbacktimeout_226',·['MCSProgressCallbackTimeout',·['../namespaceRDKit.html#ae23f3577f71c3e45f35466ac995c957b',·1,·'RDKit']]], |
401 | ····['mcsprogressdata_227',·['mcsprogressdata',·['../structRDKit_1_1MCSProgressData.html',·1,·'RDKit::MCSProgressData'], | 401 | ····['mcsprogressdata_227',·['mcsprogressdata',·['../structRDKit_1_1MCSProgressData.html',·1,·'RDKit::MCSProgressData'], |
402 | ········['../structRDKit_1_1MCSProgressData.html#afe0e6aa0477f91f9bb58cd214172c2c9',·1,·'RDKit::MCSProgressData::MCSProgressData()'] | 402 | ········['../structRDKit_1_1MCSProgressData.html#afe0e6aa0477f91f9bb58cd214172c2c9',·1,·'RDKit::MCSProgressData::MCSProgressData()'] |
403 | ····]], | 403 | ····]], |
404 | ····['mcsresult_228',·['mcsresult',·['../structRDKit_1_1MCSResult.html',·1,·'RDKit::MCSResult'], | 404 | ····['mcsresult_228',·['mcsresult',·['../structRDKit_1_1MCSResult.html',·1,·'RDKit::MCSResult'], |
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410 | ····['meanbondlength_232',·['meanBondLength',·['../namespaceRDKit_1_1MolDraw2DUtils.html#a7f69c55ee9163f52b81cbb8cc733fca1',·1,·'RDKit::MolDraw2DUtils']]], | 410 | ····['meanbondlength_232',·['meanBondLength',·['../namespaceRDKit_1_1MolDraw2DUtils.html#a7f69c55ee9163f52b81cbb8cc733fca1',·1,·'RDKit::MolDraw2DUtils']]], |
411 | ····['meanbondlength_5f_233',·['meanBondLength_',·['../classRDKit_1_1MolDraw2D__detail_1_1DrawMol.html#a160a954a9586a27d94be0d3b5d157697',·1,·'RDKit::MolDraw2D_detail::DrawMol']]], | 411 | ····['meanbondlength_5f_233',·['meanBondLength_',·['../classRDKit_1_1MolDraw2D__detail_1_1DrawMol.html#a160a954a9586a27d94be0d3b5d157697',·1,·'RDKit::MolDraw2D_detail::DrawMol']]], |
412 | ····['membertype_234',·['MemberType',·['../classRDKit_1_1RingInfo.html#aec2ca69b714bdcdc78f9a3daed95e3ee',·1,·'RDKit::RingInfo']]], | 412 | ····['membertype_234',·['MemberType',·['../classRDKit_1_1RingInfo.html#aec2ca69b714bdcdc78f9a3daed95e3ee',·1,·'RDKit::RingInfo']]], |
413 | ····['mergefragswithcomm_235',·['mergeFragsWithComm',·['../classRDDepict_1_1EmbeddedFrag.html#ae83025888506fcf316aff0bf271e854b',·1,·'RDDepict::EmbeddedFrag']]], | 413 | ····['mergefragswithcomm_235',·['mergeFragsWithComm',·['../classRDDepict_1_1EmbeddedFrag.html#ae83025888506fcf316aff0bf271e854b',·1,·'RDDepict::EmbeddedFrag']]], |
414 | ····['mergehs_236',·['mergeHs',·['../structRDKit_1_1SmartsParserParams.html#af703ee1615a59f3e78aa1d6f5363b198',·1,·'RDKit::SmartsParserParams']]], | 414 | ····['mergehs_236',·['mergeHs',·['../structRDKit_1_1SmartsParserParams.html#af703ee1615a59f3e78aa1d6f5363b198',·1,·'RDKit::SmartsParserParams']]], |
415 | ····['mergenocommon_237',·['mergeNoCommon',·['../classRDDepict_1_1EmbeddedFrag.html#a49aa84cbdd3d3aa97fed3966108a6ef6',·1,·'RDDepict::EmbeddedFrag']]], | 415 | ····['mergenocommon_237',·['mergeNoCommon',·['../classRDDepict_1_1EmbeddedFrag.html#a49aa84cbdd3d3aa97fed3966108a6ef6',·1,·'RDDepict::EmbeddedFrag']]], |
416 | ····['mergenullqueries_238',·['mergeNullQueries',·['../namespaceRDKit.html#af5709111a38dc464634b20d85c753077',·1,·'RDKit']]], | 416 | ····['mergenullqueries_238',·['mergeNullQueries',·['../namespaceRDKit.html#af5709111a38dc464634b20d85c753077',·1,·'RDKit']]], |
417 | ····['mergequeryhs_239',·['mergequeryhs',·['../namespaceRDKit_1_1MolOps.html#a6912c3a5a3cd81b583ed0582b16e9040',·1,·'RDKit::MolOps::mergeQueryHs(const·ROMol·&mol,·bool·mergeUnmappedOnly=false,·bool·mergeIsotopes=false)'], | ||
417 | ···· | 418 | ········['../namespaceRDKit_1_1MolOps.html#a100dae358c8d5bedf8afbebdb9c9a51f',·1,·'RDKit::MolOps::mergeQueryHs(RWMol·&mol,·bool·mergeUnmappedOnly=false,·bool·mergeIsotopes=false)'] |
418 | ········['../namespaceRDKit_1_1MolOps.html#a6912c3a5a3cd81b583ed0582b16e9040',·1,·'RDKit::MolOps::mergeQueryHs(const·ROMol·&mol,·bool·mergeUnmappedOnly=false,·bool·mergeIsotopes=false)'] | ||
419 | ····]], | 419 | ····]], |
420 | ····['mergewithcommon_240',·['mergeWithCommon',·['../classRDDepict_1_1EmbeddedFrag.html#ada257b15ae002658de9b63f613362ae7',·1,·'RDDepict::EmbeddedFrag']]], | 420 | ····['mergewithcommon_240',·['mergeWithCommon',·['../classRDDepict_1_1EmbeddedFrag.html#ada257b15ae002658de9b63f613362ae7',·1,·'RDDepict::EmbeddedFrag']]], |
421 | ····['mesomer_241',·['Mesomer',·['../namespaceRDKit_1_1MolHash.html#a25ad192e23d967736225e66d16b1bb21a2e335a13714ac416f835efba444919c9',·1,·'RDKit::MolHash']]], | 421 | ····['mesomer_241',·['Mesomer',·['../namespaceRDKit_1_1MolHash.html#a25ad192e23d967736225e66d16b1bb21a2e335a13714ac416f835efba444919c9',·1,·'RDKit::MolHash']]], |
422 | ····['metal_2eh_242',·['Metal.h',·['../Metal_8h.html',·1,·'']]], | 422 | ····['metal_2eh_242',·['Metal.h',·['../Metal_8h.html',·1,·'']]], |
423 | ····['metaldisconnector_243',·['metaldisconnector',·['../classRDKit_1_1MolStandardize_1_1MetalDisconnector.html',·1,·'RDKit::MolStandardize::MetalDisconnector'], | 423 | ····['metaldisconnector_243',·['metaldisconnector',·['../classRDKit_1_1MolStandardize_1_1MetalDisconnector.html',·1,·'RDKit::MolStandardize::MetalDisconnector'], |
424 | ········['../classRDKit_1_1MolStandardize_1_1MetalDisconnector.html#a99bd0be10df0cd9fd67d3627b7d8bf01',·1,·'RDKit::MolStandardize::MetalDisconnector::MetalDisconnector(const·MetalDisconnector·&other)'], | 424 | ········['../classRDKit_1_1MolStandardize_1_1MetalDisconnector.html#a99bd0be10df0cd9fd67d3627b7d8bf01',·1,·'RDKit::MolStandardize::MetalDisconnector::MetalDisconnector(const·MetalDisconnector·&other)'], |
425 | ········['../classRDKit_1_1MolStandardize_1_1MetalDisconnector.html#a1b35ce9a19dd1d6f0490a2face8abcc8',·1,·'RDKit::MolStandardize::MetalDisconnector::MetalDisconnector(const·MetalDisconnectorOptions·&options=MetalDisconnectorOptions())'] | 425 | ········['../classRDKit_1_1MolStandardize_1_1MetalDisconnector.html#a1b35ce9a19dd1d6f0490a2face8abcc8',·1,·'RDKit::MolStandardize::MetalDisconnector::MetalDisconnector(const·MetalDisconnectorOptions·&options=MetalDisconnectorOptions())'] |
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437 | ····]], | 437 | ····]], |
438 | ····['mhfpfingerprintversion_251',·['mhfpFingerprintVersion',·['../namespaceRDKit_1_1MHFPFingerprints.html#a68c663c070c04d84731d40a3a97366ff',·1,·'RDKit::MHFPFingerprints']]], | 438 | ····['mhfpfingerprintversion_251',·['mhfpFingerprintVersion',·['../namespaceRDKit_1_1MHFPFingerprints.html#a68c663c070c04d84731d40a3a97366ff',·1,·'RDKit::MHFPFingerprints']]], |
439 | ····['middle_252',·['MIDDLE',·['../namespaceRDKit_1_1MolDraw2D__detail.html#afdecd4becbd2270e7eaafc8845370aa2a43eedd8685eb86592022f8da962e3474',·1,·'RDKit::MolDraw2D_detail']]], | 439 | ····['middle_252',·['MIDDLE',·['../namespaceRDKit_1_1MolDraw2D__detail.html#afdecd4becbd2270e7eaafc8845370aa2a43eedd8685eb86592022f8da962e3474',·1,·'RDKit::MolDraw2D_detail']]], |
440 | ····['mimicdistmatanddensitycostfunc_253',·['mimicDistMatAndDensityCostFunc',·['../classRDDepict_1_1EmbeddedFrag.html#a6c269df1e97c0691bc26ed8eae52aa72',·1,·'RDDepict::EmbeddedFrag']]], | 440 | ····['mimicdistmatanddensitycostfunc_253',·['mimicDistMatAndDensityCostFunc',·['../classRDDepict_1_1EmbeddedFrag.html#a6c269df1e97c0691bc26ed8eae52aa72',·1,·'RDDepict::EmbeddedFrag']]], |
441 | ····['min_5ffont_5fsize_5f_254',·['min_font_size_',·['../classRDKit_1_1MolDraw2D__detail_1_1DrawText.html#a3ac77bdf96360fd46f0f5d7f03f18f2d',·1,·'RDKit::MolDraw2D_detail::DrawText']]], | 441 | ····['min_5ffont_5fsize_5f_254',·['min_font_size_',·['../classRDKit_1_1MolDraw2D__detail_1_1DrawText.html#a3ac77bdf96360fd46f0f5d7f03f18f2d',·1,·'RDKit::MolDraw2D_detail::DrawText']]], |
442 | ····['minatomringsize_255',·['minAtomRingSize',·['../classRDKit_1_1RingInfo.html#af0e1ce4300eb1c63fefa7b5cec7e6565',·1,·'RDKit::RingInfo']]], | 442 | ····['minatomringsize_255',·['minAtomRingSize',·['../classRDKit_1_1RingInfo.html#af0e1ce4300eb1c63fefa7b5cec7e6565',·1,·'RDKit::RingInfo']]], |
443 | ····['minbondringsize_256',·['minBondRingSize',·['../classRDKit_1_1RingInfo.html#a7a85cc1ab6ea186b3a65435b6037a644',·1,·'RDKit::RingInfo']]], | 443 | ····['minbondringsize_256',·['minBondRingSize',·['../classRDKit_1_1RingInfo.html#a7a85cc1ab6ea186b3a65435b6037a644',·1,·'RDKit::RingInfo']]], |
444 | ····['minfontsize_257',·['minfontsize',·['../structRDKit_1_1MolDrawOptions.html#a2d925f98a77ded26345e2e54dd09d335',·1,·'RDKit::MolDrawOptions::minFontSize'], | ||
444 | ···· | 445 | ········['../classRDKit_1_1MolDraw2D__detail_1_1DrawText.html#a3ec1b385b702e72abdd6cb9efbf77f17',·1,·'RDKit::MolDraw2D_detail::DrawText::minFontSize()'] |
445 | ········['../structRDKit_1_1MolDrawOptions.html#a2d925f98a77ded26345e2e54dd09d335',·1,·'RDKit::MolDrawOptions::minFontSize'] | ||
446 | ····]], | 446 | ····]], |
447 | ····['minfragsize_258',·['minfragsize',·['../structRDKit_1_1RascalMCES_1_1RascalOptions.html#aa884547177023cb952f4d8b9791ec816',·1,·'RDKit::RascalMCES::RascalOptions::minFragSize'], | ||
448 | ····· | 447 | ····['minfragsize_258',·['minfragsize',·['../structRDKit_1_1RascalMCES_1_1RascalClusterOptions.html#a641fc8f045f168921ffd109e2d58a271',·1,·'RDKit::RascalMCES::RascalClusterOptions::minFragSize'], |
448 | ········['../structRDKit_1_1RascalMCES_1_1RascalOptions.html#aa884547177023cb952f4d8b9791ec816',·1,·'RDKit::RascalMCES::RascalOptions::minFragSize'] | ||
449 | ····]], | 449 | ····]], |
450 | ····['minimize_259',·['minimize',·['../ | 450 | ····['minimize_259',·['minimize',·['../namespaceBFGSOpt.html#a999396761c3dd99697ed31379cd4e350',·1,·'BFGSOpt::minimize(unsigned·int·dim,·double·*pos,·double·gradTol,·unsigned·int·&numIters,·double·&funcVal,·EnergyFunctor·func,·GradientFunctor·gradFunc,·double·funcTol=TOLX,·unsigned·int·[·...·truncated·by·diffoscope;·len:·13,·SHA:·ef317819eba4b9a5d8d48ce61fb48e87cceb32e264d26b8319f8973f9d4a0a6f·...·])'], |
451 | ········['../namespaceBFGSOpt.html#a490751083c57973f45d18c39bfd49375',·1,·'BFGSOpt::minimize(unsigned·int·dim,·double·*pos,·double·gradTol,·unsigned·int·&numIters,·double·&funcVal,·EnergyFunctor·func,·GradientFunctor·gradFunc,·unsigned·int·snapshotFreq,·RDKit::SnapshotVect·*snapshotVect,·double·funcTol=TOLX,·unsigned·int·maxIts=MAXITS)'], | 451 | ········['../namespaceBFGSOpt.html#a490751083c57973f45d18c39bfd49375',·1,·'BFGSOpt::minimize(unsigned·int·dim,·double·*pos,·double·gradTol,·unsigned·int·&numIters,·double·&funcVal,·EnergyFunctor·func,·GradientFunctor·gradFunc,·unsigned·int·snapshotFreq,·RDKit::SnapshotVect·*snapshotVect,·double·funcTol=TOLX,·unsigned·int·maxIts=MAXITS)'], |
452 | ········['../namespaceBFGSOpt.html#a999396761c3dd99697ed31379cd4e350',·1,·'BFGSOpt::minimize(unsigned·int·dim,·double·*pos,·double·gradTol,·unsigned·int·&numIters,·double·&funcVal,·EnergyFunctor·func,·GradientFunctor·gradFunc,·double·funcTol=TOLX,·unsigned·int·maxIts=MAXITS)'], | ||
453 | ········['../classForceFields_1_1ForceField.html#afedfcf235e3d94ef9bf027bfdbc5302d',·1,·'ForceFields::ForceField::minimize()'] | 452 | ········['../classForceFields_1_1ForceField.html#afedfcf235e3d94ef9bf027bfdbc5302d',·1,·'ForceFields::ForceField::minimize(unsigned·int·snapshotFreq,·RDKit::SnapshotVect·*snapshotVect,·unsigned·int·maxIts=200,·double·forceTol=1e-4,·double·energyTol=1e-6)'], |
453 | ········['../classForceFields_1_1ForceField.html#a91d910ee44ffd59326a9cfd8b00deb51',·1,·'ForceFields::ForceField::minimize(unsigned·int·maxIts=200,·double·forceTol=1e-4,·double·energyTol=1e-6)'] | ||
454 | ····]], | 454 | ····]], |
455 | ····['minimize_5ffourth_5fdimension_260',·['MINIMIZE_FOURTH_DIMENSION',·['../namespaceRDKit_1_1DGeomHelpers.html#a85cefd0a78c11ffcd0f45c3029649c79a2f531f3f558e01e42b595b1868dc8c22',·1,·'RDKit::DGeomHelpers']]], | 455 | ····['minimize_5ffourth_5fdimension_260',·['MINIMIZE_FOURTH_DIMENSION',·['../namespaceRDKit_1_1DGeomHelpers.html#a85cefd0a78c11ffcd0f45c3029649c79a2f531f3f558e01e42b595b1868dc8c22',·1,·'RDKit::DGeomHelpers']]], |
456 | ····['minintraclustersim_261',·['minIntraClusterSim',·['../structRDKit_1_1RascalMCES_1_1RascalClusterOptions.html#ab9909a934e875f18da13636233ad5fa9',·1,·'RDKit::RascalMCES::RascalClusterOptions']]], | 456 | ····['minintraclustersim_261',·['minIntraClusterSim',·['../structRDKit_1_1RascalMCES_1_1RascalClusterOptions.html#ab9909a934e875f18da13636233ad5fa9',·1,·'RDKit::RascalMCES::RascalClusterOptions']]], |
457 | ····['minpt_262',·['minPt',·['../classRDKit_1_1MolDraw2D.html#acd0816050dce576b864a63c186cd3039',·1,·'RDKit::MolDraw2D']]], | 457 | ····['minpt_262',·['minPt',·['../classRDKit_1_1MolDraw2D.html#acd0816050dce576b864a63c186cd3039',·1,·'RDKit::MolDraw2D']]], |
458 | ····['minrep_263',·['minRep',·['../structRDKit_1_1MolEnumerator_1_1LinkNode.html#a7b12b13d8dfe247bb153052b1e0217e3',·1,·'RDKit::MolEnumerator::LinkNode']]], | 458 | ····['minrep_263',·['minRep',·['../structRDKit_1_1MolEnumerator_1_1LinkNode.html#a7b12b13d8dfe247bb153052b1e0217e3',·1,·'RDKit::MolEnumerator::LinkNode']]], |
459 | ····['minringsizefordoublebondstereo_264',·['minRingSizeForDoubleBondStereo',·['../namespaceRDKit_1_1Chirality.html#a7190b9c71962fd55a61be4e20c6f13fc',·1,·'RDKit::Chirality']]], | 459 | ····['minringsizefordoublebondstereo_264',·['minRingSizeForDoubleBondStereo',·['../namespaceRDKit_1_1Chirality.html#a7190b9c71962fd55a61be4e20c6f13fc',·1,·'RDKit::Chirality']]], |
460 | ····['mismatchedinitialseed_265',·['MismatchedInitialSeed',·['../structRDKit_1_1FMCS_1_1ExecStatistics.html#a81cfb8ea3ae747f01a9af3bbd3b96307',·1,·'RDKit::FMCS::ExecStatistics']]], | 460 | ····['mismatchedinitialseed_265',·['MismatchedInitialSeed',·['../structRDKit_1_1FMCS_1_1ExecStatistics.html#a81cfb8ea3ae747f01a9af3bbd3b96307',·1,·'RDKit::FMCS::ExecStatistics']]], |
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214 | ····]], | 214 | ····]], |
215 | ····['degeneratesmartsquerymoldict_140',·['DegenerateSmartsQueryMolDict',·['../structRDKit_1_1MCSResult.html#a48ef68821b89801e19491055a2741424',·1,·'RDKit::MCSResult']]], | 215 | ····['degeneratesmartsquerymoldict_140',·['DegenerateSmartsQueryMolDict',·['../structRDKit_1_1MCSResult.html#a48ef68821b89801e19491055a2741424',·1,·'RDKit::MCSResult']]], |
216 | ····['degree_141',·['degree',·['../structRDKit_1_1Canon_1_1canon__atom.html#a341e9f3b210d33e073dbf3873e801877',·1,·'RDKit::Canon::canon_atom']]], | 216 | ····['degree_141',·['degree',·['../structRDKit_1_1Canon_1_1canon__atom.html#a341e9f3b210d33e073dbf3873e801877',·1,·'RDKit::Canon::canon_atom']]], |
217 | ····['degreevector_142',·['DegreeVector',·['../namespaceRDKit_1_1MolHash.html#a25ad192e23d967736225e66d16b1bb21a130277a6d7c656ec554bf8c08a7d4644',·1,·'RDKit::MolHash']]], | 217 | ····['degreevector_142',·['DegreeVector',·['../namespaceRDKit_1_1MolHash.html#a25ad192e23d967736225e66d16b1bb21a130277a6d7c656ec554bf8c08a7d4644',·1,·'RDKit::MolHash']]], |
218 | ····['deletesubstructs_143',·['deleteSubstructs',·['../namespaceRDKit.html#a3b49865bb6780344936aecfc095fd44a',·1,·'RDKit']]], | 218 | ····['deletesubstructs_143',·['deleteSubstructs',·['../namespaceRDKit.html#a3b49865bb6780344936aecfc095fd44a',·1,·'RDKit']]], |
219 | ····['delimiter_144',·['delimiter',·['../structRDKit_1_1GeneralMolSupplier_1_1SupplierOptions.html#abbf0886870f49d331498aa6ea8a1ef44',·1,·'RDKit::GeneralMolSupplier::SupplierOptions']]], | 219 | ····['delimiter_144',·['delimiter',·['../structRDKit_1_1GeneralMolSupplier_1_1SupplierOptions.html#abbf0886870f49d331498aa6ea8a1ef44',·1,·'RDKit::GeneralMolSupplier::SupplierOptions']]], |
220 | ····['depictexception_145',·['depictexception',·['../classRDDepict_1_1DepictException.html#a9e396024d7ce8843d207cde7c56ccfef',·1,·'RDDepict::DepictException::DepictException()'], | 220 | ····['depictexception_145',·['depictexception',·['../classRDDepict_1_1DepictException.html#a9e396024d7ce8843d207cde7c56ccfef',·1,·'RDDepict::DepictException::DepictException(const·std::string·msg)'], |
221 | ········['../classRDDepict_1_1DepictException.html#a4188fa9b668489b79fae2f24c47150f8',·1,·'RDDepict::DepictException::DepictException(const·char·*msg)'], | ||
221 | ········['../classRDDepict_1_1DepictException.html',·1,·'RDDepict::DepictException'] | 222 | ········['../classRDDepict_1_1DepictException.html',·1,·'RDDepict::DepictException'] |
222 | ········['../classRDDepict_1_1DepictException.html#a4188fa9b668489b79fae2f24c47150f8',·1,·'RDDepict::DepictException::DepictException()'] | ||
223 | ····]], | 223 | ····]], |
224 | ····['depictutils_2eh_146',·['DepictUtils.h',·['../DepictUtils_8h.html',·1,·'']]], | 224 | ····['depictutils_2eh_146',·['DepictUtils.h',·['../DepictUtils_8h.html',·1,·'']]], |
225 | ····['deprecated_20list_147',·['Deprecated·List',·['../deprecated.html',·1,·'']]], | 225 | ····['deprecated_20list_147',·['Deprecated·List',·['../deprecated.html',·1,·'']]], |
226 | ····['deprotect_148',·['deprotect',·['../namespaceRDKit_1_1Deprotect.html#a4701806fcae80cd074129262d57bdd3c',·1,·'RDKit::Deprotect']]], | 226 | ····['deprotect_148',·['deprotect',·['../namespaceRDKit_1_1Deprotect.html#a4701806fcae80cd074129262d57bdd3c',·1,·'RDKit::Deprotect']]], |
227 | ····['deprotect_2eh_149',·['Deprotect.h',·['../Deprotect_8h.html',·1,·'']]], | 227 | ····['deprotect_2eh_149',·['Deprotect.h',·['../Deprotect_8h.html',·1,·'']]], |
228 | ····['deprotectdata_150',·['deprotectdata',·['../structRDKit_1_1Deprotect_1_1DeprotectData.html',·1,·'RDKit::Deprotect::DeprotectData'], | ||
229 | ····· | 228 | ····['deprotectdata_150',·['deprotectdata',·['../structRDKit_1_1Deprotect_1_1DeprotectData.html#ab47066eeef772cab40130c32b894e2ce',·1,·'RDKit::Deprotect::DeprotectData::DeprotectData()'], |
229 | ········['../structRDKit_1_1Deprotect_1_1DeprotectData.html',·1,·'RDKit::Deprotect::DeprotectData'] | ||
230 | ····]], | 230 | ····]], |
231 | ····['deprotectinplace_151',·['deprotectInPlace',·['../namespaceRDKit_1_1Deprotect.html#aef3ab26536ee1c10c53b0963d54f86b8',·1,·'RDKit::Deprotect']]], | 231 | ····['deprotectinplace_151',·['deprotectInPlace',·['../namespaceRDKit_1_1Deprotect.html#aef3ab26536ee1c10c53b0963d54f86b8',·1,·'RDKit::Deprotect']]], |
232 | ····['deprotection_5fclass_152',·['deprotection_class',·['../structRDKit_1_1Deprotect_1_1DeprotectData.html#afbab1a1354ae52d0985c4b254e8f8b9b',·1,·'RDKit::Deprotect::DeprotectData']]], | 232 | ····['deprotection_5fclass_152',·['deprotection_class',·['../structRDKit_1_1Deprotect_1_1DeprotectData.html#afbab1a1354ae52d0985c4b254e8f8b9b',·1,·'RDKit::Deprotect::DeprotectData']]], |
233 | ····['describequery_153',·['describequery',·['../namespaceRDKit.html#a4a5f1acdfc8c34404e99dac1bace15bf',·1,·'RDKit::describeQuery(const·Bond·*bond)'], | 233 | ····['describequery_153',·['describequery',·['../namespaceRDKit.html#a4a5f1acdfc8c34404e99dac1bace15bf',·1,·'RDKit::describeQuery(const·Bond·*bond)'], |
234 | ········['../namespaceRDKit.html#aa35bef89575c25350c7a2dbeac4eab26',·1,·'RDKit::describeQuery(const·Atom·*atom)'] | 234 | ········['../namespaceRDKit.html#aa35bef89575c25350c7a2dbeac4eab26',·1,·'RDKit::describeQuery(const·Atom·*atom)'] |
235 | ····]], | 235 | ····]], |
236 | ····['descriptor_154',·['descriptor',·['../structRDKit_1_1Chirality_1_1StereoInfo.html#ac1be4d892662be1ed345ab6536296346',·1,·'RDKit::Chirality::StereoInfo::descriptor'], | 236 | ····['descriptor_154',·['descriptor',·['../structRDKit_1_1Chirality_1_1StereoInfo.html#ac1be4d892662be1ed345ab6536296346',·1,·'RDKit::Chirality::StereoInfo::descriptor'], |
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249 | ····]], | 249 | ····]], |
250 | ····['detectchemistryproblems_162',·['detectChemistryProblems',·['../namespaceRDKit_1_1MolOps.html#acb2d8e4e118fb4ee00e0a0238a355ec5',·1,·'RDKit::MolOps']]], | 250 | ····['detectchemistryproblems_162',·['detectChemistryProblems',·['../namespaceRDKit_1_1MolOps.html#acb2d8e4e118fb4ee00e0a0238a355ec5',·1,·'RDKit::MolOps']]], |
251 | ····['determinebondorders_163',·['determineBondOrders',·['../namespaceRDKit.html#a58e00ed5ec2793a867d99be4f2fa9cf0',·1,·'RDKit']]], | 251 | ····['determinebondorders_163',·['determineBondOrders',·['../namespaceRDKit.html#a58e00ed5ec2793a867d99be4f2fa9cf0',·1,·'RDKit']]], |
252 | ····['determinebonds_164',·['determineBonds',·['../namespaceRDKit.html#ace63b631992c3efcaf8ca5c507293e77',·1,·'RDKit']]], | 252 | ····['determinebonds_164',·['determineBonds',·['../namespaceRDKit.html#ace63b631992c3efcaf8ca5c507293e77',·1,·'RDKit']]], |
253 | ····['determinebonds_2eh_165',·['DetermineBonds.h',·['../DetermineBonds_8h.html',·1,·'']]], | 253 | ····['determinebonds_2eh_165',·['DetermineBonds.h',·['../DetermineBonds_8h.html',·1,·'']]], |
254 | ····['determinebondwedgestate_166',·['determinebondwedgestate',·['../namespaceRDKit_1_1Chirality_1_1detail.html#a355f92cbea2695a4204781395acd3dfb',·1,·'RDKit::Chirality::detail::determineBondWedgeState(const·Bond·*bond,·const·INT_MAP_INT·&wedgeBonds,·const·Conformer·*conf)'], | 254 | ····['determinebondwedgestate_166',·['determinebondwedgestate',·['../namespaceRDKit_1_1Chirality_1_1detail.html#a355f92cbea2695a4204781395acd3dfb',·1,·'RDKit::Chirality::detail::determineBondWedgeState(const·Bond·*bond,·const·INT_MAP_INT·&wedgeBonds,·const·Conformer·*conf)'], |
255 | ········['../namespaceRDKit_1_1Chirality_1_1detail.html#ae2d9eec938651ad21bc10ffdf356fb43',·1,·'RDKit::Chirality::detail::determineBondWedgeState(const·Bond·*bond,·unsigned·int·fromAtomIdx,·const·Conformer·*conf)'], | 255 | ········['../namespaceRDKit_1_1Chirality_1_1detail.html#ae2d9eec938651ad21bc10ffdf356fb43',·1,·'RDKit::Chirality::detail::determineBondWedgeState(const·Bond·*bond,·unsigned·int·fromAtomIdx,·const·Conformer·*conf)'], |
256 | ········['../namespaceRDKit.html#a84c368539f4410ce6d1b57eb2cbb3448',·1,·'RDKit::DetermineBondWedgeState(const·Bond·*bond,·unsigned·int·fromAtomIdx,·const·Conformer·*conf)'], | ||
256 | ········['../namespaceRDKit.html#a929f031433a9db79e9ae491b0034e5c1',·1,·'RDKit::DetermineBondWedgeState(const·Bond·*bond,·const·INT_MAP_INT·&wedgeBonds,·const·Conformer·*conf)'] | 257 | ········['../namespaceRDKit.html#a929f031433a9db79e9ae491b0034e5c1',·1,·'RDKit::DetermineBondWedgeState(const·Bond·*bond,·const·INT_MAP_INT·&wedgeBonds,·const·Conformer·*conf)'] |
257 | ········['../namespaceRDKit.html#a84c368539f4410ce6d1b57eb2cbb3448',·1,·'RDKit::DetermineBondWedgeState(const·Bond·*bond,·unsigned·int·fromAtomIdx,·const·Conformer·*conf)'] | ||
258 | ····]], | 258 | ····]], |
259 | ····['determineconnectivity_167',·['determineConnectivity',·['../namespaceRDKit.html#a543dada2fc1cc1b6250c067d67488b05',·1,·'RDKit']]], | 259 | ····['determineconnectivity_167',·['determineConnectivity',·['../namespaceRDKit.html#a543dada2fc1cc1b6250c067d67488b05',·1,·'RDKit']]], |
260 | ····['determineformat_168',·['determineFormat',·['../namespaceRDKit_1_1GeneralMolSupplier.html#a7640f2caa3bf0a713e2e946a3a066fd7',·1,·'RDKit::GeneralMolSupplier']]], | 260 | ····['determineformat_168',·['determineFormat',·['../namespaceRDKit_1_1GeneralMolSupplier.html#a7640f2caa3bf0a713e2e946a3a066fd7',·1,·'RDKit::GeneralMolSupplier']]], |
261 | ····['df_5fbranchedpaths_169',·['df_branchedPaths',·['../classRDKit_1_1RDKitFP_1_1RDKitFPArguments.html#a64bc4fb0dffc77068f93b96be733547f',·1,·'RDKit::RDKitFP::RDKitFPArguments']]], | 261 | ····['df_5fbranchedpaths_169',·['df_branchedPaths',·['../classRDKit_1_1RDKitFP_1_1RDKitFPArguments.html#a64bc4fb0dffc77068f93b96be733547f',·1,·'RDKit::RDKitFP::RDKitFPArguments']]], |
262 | ····['df_5fcountsimulation_170',·['df_countSimulation',·['../classRDKit_1_1FingerprintArguments.html#a245e727bb192a9f4496bb6aac619af84',·1,·'RDKit::FingerprintArguments']]], | 262 | ····['df_5fcountsimulation_170',·['df_countSimulation',·['../classRDKit_1_1FingerprintArguments.html#a245e727bb192a9f4496bb6aac619af84',·1,·'RDKit::FingerprintArguments']]], |
263 | ····['df_5fenabled_171',·['df_enabled',·['../classboost_1_1logging_1_1rdLogger.html#a83db56393d7825e4b3a696a86c806e4d',·1,·'boost::logging::rdLogger']]], | 263 | ····['df_5fenabled_171',·['df_enabled',·['../classboost_1_1logging_1_1rdLogger.html#a83db56393d7825e4b3a696a86c806e4d',·1,·'boost::logging::rdLogger']]], |
264 | ····['df_5fend_172',·['df_end',·['../classRDKit_1_1ForwardSDMolSupplier.html#a6a2059cc6317efb72379258a67f8db79',·1,·'RDKit::ForwardSDMolSupplier']]], | 264 | ····['df_5fend_172',·['df_end',·['../classRDKit_1_1ForwardSDMolSupplier.html#a6a2059cc6317efb72379258a67f8db79',·1,·'RDKit::ForwardSDMolSupplier']]], |
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1 | Package:·librdkit1-dbgsym | 1 | Package:·librdkit1-dbgsym |
2 | Source:·rdkit | 2 | Source:·rdkit |
3 | Version:·202309.3-3 | 3 | Version:·202309.3-3 |
4 | Auto-Built-Package:·debug-symbols | 4 | Auto-Built-Package:·debug-symbols |
5 | Architecture:·amd64 | 5 | Architecture:·amd64 |
6 | Maintainer:·Debichem·Team·<debichem-devel@lists.alioth.debian.org> | 6 | Maintainer:·Debichem·Team·<debichem-devel@lists.alioth.debian.org> |
7 | Installed-Size:·10695 | 7 | Installed-Size:·106953 |
8 | Depends:·librdkit1·(=·202309.3-3) | 8 | Depends:·librdkit1·(=·202309.3-3) |
9 | Section:·debug | 9 | Section:·debug |
10 | Priority:·optional | 10 | Priority:·optional |
11 | Description:·debug·symbols·for·librdkit1 | 11 | Description:·debug·symbols·for·librdkit1 |
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Offset 21, 29 lines modified | Offset 21, 29 lines modified | ||
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28 | usr/lib/debug/.build-id/81/c9410c12ae61552ef158e834194d8277ff459b.debug | ||
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52 | drwxr-xr-x···0·root·········(0)·root·········(0)········0·2024-02-28·09:43:17.000000·./usr/lib/debug/.build-id/73/ | 52 | drwxr-xr-x···0·root·········(0)·root·········(0)········0·2024-02-28·09:43:17.000000·./usr/lib/debug/.build-id/73/ |
53 | -rw-r--r--···0·root·········(0)·root·········(0)··2076280·2024-02-28·09:43:17.000000·./usr/lib/debug/.build-id/73/b0c2503e795a602e6e71fe339438dff8499446.debug | 53 | -rw-r--r--···0·root·········(0)·root·········(0)··2076280·2024-02-28·09:43:17.000000·./usr/lib/debug/.build-id/73/b0c2503e795a602e6e71fe339438dff8499446.debug |
54 | drwxr-xr-x···0·root·········(0)·root·········(0)········0·2024-02-28·09:43:17.000000·./usr/lib/debug/.build-id/75/ | 54 | drwxr-xr-x···0·root·········(0)·root·········(0)········0·2024-02-28·09:43:17.000000·./usr/lib/debug/.build-id/75/ |
55 | -rw-r--r--···0·root·········(0)·root·········(0)···415472·2024-02-28·09:43:17.000000·./usr/lib/debug/.build-id/75/b0f4c8f22cde5c4d3ab12109ccc54ae3d2815d.debug | 55 | -rw-r--r--···0·root·········(0)·root·········(0)···415472·2024-02-28·09:43:17.000000·./usr/lib/debug/.build-id/75/b0f4c8f22cde5c4d3ab12109ccc54ae3d2815d.debug |
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63 | drwxr-xr-x···0·root·········(0)·root·········(0)········0·2024-02-28·09:43:17.000000·./usr/lib/debug/.build-id/8e/ | 62 | drwxr-xr-x···0·root·········(0)·root·········(0)········0·2024-02-28·09:43:17.000000·./usr/lib/debug/.build-id/8e/ |
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81 | drwxr-xr-x···0·root·········(0)·root·········(0)········0·2024-02-28·09:43:17.000000·./usr/lib/debug/.build-id/b9/ | 80 | drwxr-xr-x···0·root·········(0)·root·········(0)········0·2024-02-28·09:43:17.000000·./usr/lib/debug/.build-id/b9/ |
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Offset 1, 4 lines modified | Offset 1, 4 lines modified | ||
1 | Displaying·notes·found·in:·.note.gnu.build-id | 1 | Displaying·notes·found·in:·.note.gnu.build-id |
2 | ··Owner················Data·size·» Description | 2 | ··Owner················Data·size·» Description |
3 | ··GNU··················0x00000014» NT_GNU_BUILD_ID·(unique·build·ID·bitstring)» ····Build·ID:· | 3 | ··GNU··················0x00000014» NT_GNU_BUILD_ID·(unique·build·ID·bitstring)» ····Build·ID:·c4c9be5beef27d82665c3e36b2421f4b99595bcf |
Offset 1, 17 lines modified | Offset 1, 17 lines modified | ||
1 | ··Streams:···········1 | 1 | ··Streams:···········1 |
2 | ··Blocks:············5 | 2 | ··Blocks:············5 |
3 | ··Compressed·size:···99.7·MiB·(10457 | 3 | ··Compressed·size:···99.7·MiB·(104577936·B) |
4 | ··Uncompressed·size:·104.4·MiB·(109506560·B) | 4 | ··Uncompressed·size:·104.4·MiB·(109506560·B) |
5 | ··Ratio:·············0.955 | 5 | ··Ratio:·············0.955 |
6 | ··Check:·············CRC64 | 6 | ··Check:·············CRC64 |
7 | ··Stream·Padding:····0·B | 7 | ··Stream·Padding:····0·B |
8 | ··Streams: | 8 | ··Streams: |
9 | ····Stream····Blocks······CompOffset····UncompOffset········CompSize······UncompSize··Ratio··Check······Padding | 9 | ····Stream····Blocks······CompOffset····UncompOffset········CompSize······UncompSize··Ratio··Check······Padding |
10 | ·········1·········5···············0···············0·······10457 | 10 | ·········1·········5···············0···············0·······104577936·······109506560··0.955··CRC64············0 |
11 | ··Blocks: | 11 | ··Blocks: |
12 | ····Stream·····Block······CompOffset····UncompOffset·······TotalSize······UncompSize··Ratio··Check | 12 | ····Stream·····Block······CompOffset····UncompOffset·······TotalSize······UncompSize··Ratio··Check |
13 | ·········1·········1··············12···············0········24367176········25165824··0.968··CRC64 | 13 | ·········1·········1··············12···············0········24367176········25165824··0.968··CRC64 |
14 | ·········1·········2········24367188········25165824········23877672········25165824··0.949··CRC64 | 14 | ·········1·········2········24367188········25165824········23877672········25165824··0.949··CRC64 |
15 | ·········1·········3········48244860········50331648········23 | 15 | ·········1·········3········48244860········50331648········23631284········25165824··0.939··CRC64 |
16 | ·········1·········4········71 | 16 | ·········1·········4········71876144········75497472········24103232········25165824··0.958··CRC64 |
17 | ·········1·········5········9597 | 17 | ·········1·········5········95979376·······100663296·········8598500·········8843264··0.972··CRC64 |