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rdkit 202503.1-4
  • links: PTS, VCS
  • area: main
  • in suites: trixie
  • size: 220,160 kB
  • sloc: cpp: 399,240; python: 77,453; ansic: 25,517; java: 8,173; javascript: 4,005; sql: 2,389; yacc: 1,565; lex: 1,263; cs: 1,081; makefile: 578; xml: 229; fortran: 183; sh: 105

Folder: ChemReactions

d .. (parent)
d d rwxr-xr-x 4,096 Enumerate
d d rwxr-xr-x 4,096 Wrap
d d rwxr-xr-x 4,096 testData
d d rwxr-xr-x 45 tutorial
- - rw-r--r-- 4,929 CDXMLParser.cpp
- - rw-r--r-- 2,120 CMakeLists.txt
- - rw-r--r-- 11,181 DaylightParser.cpp
- - rw-r--r-- 14,088 MDLParser.cpp
- - rw-r--r-- 3,777 MoleculeParser.cpp
- - rw-r--r-- 2,978 PNGParser.cpp
- - rw-r--r-- 3,612 PreprocessRxn.cpp
- - rw-r--r-- 2,874 PreprocessRxn.h
- - rw-r--r-- 25,820 Reaction.cpp
- - rw-r--r-- 19,670 Reaction.h
- - rw-r--r-- 3,634 ReactionDepict.cpp
- - rw-r--r-- 10,138 ReactionFingerprints.cpp
- - rw-r--r-- 5,858 ReactionFingerprints.h
- - rw-r--r-- 18,153 ReactionParser.h
- - rw-r--r-- 9,934 ReactionPickler.cpp
- - rw-r--r-- 4,353 ReactionPickler.h
- - rw-r--r-- 83,649 ReactionRunner.cpp
- - rw-r--r-- 4,944 ReactionRunner.h
- - rw-r--r-- 13,537 ReactionUtils.cpp
- - rw-r--r-- 3,151 ReactionUtils.h
- - rw-r--r-- 10,038 ReactionWriter.cpp
- - rw-r--r-- 13,997 SanitizeRxn.cpp
- - rw-r--r-- 6,887 SanitizeRxn.h
- - rw-r--r-- 81,042 catch_tests.cpp
- - rw-r--r-- 1,747 license.txt
- - rw-r--r-- 272,856 testReaction.cpp
- - rw-r--r-- 24,122 testReactionFingerprints.cpp