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rdkit 202209.3-1
  • links: PTS, VCS
  • area: main
  • in suites: bookworm
  • size: 203,880 kB
  • sloc: cpp: 334,239; python: 80,247; ansic: 24,579; java: 7,667; sql: 2,123; yacc: 1,884; javascript: 1,358; lex: 1,260; makefile: 576; xml: 229; fortran: 183; cs: 181; sh: 101

Folder: MolStandardize

d .. (parent)
d d rwxr-xr-x 4,096 AcidBaseCatalog
d d rwxr-xr-x 4,096 FragmentCatalog
d d rwxr-xr-x 4,096 TautomerCatalog
d d rwxr-xr-x 4,096 TransformCatalog
d d rwxr-xr-x 4,096 Wrap
d d rwxr-xr-x 133 test_data
- - rw-r--r-- 2,617 CMakeLists.txt
- - rw-r--r-- 18,614 Charge.cpp
- - rw-r--r-- 4,376 Charge.h
- - rw-r--r-- 8,665 Fragment.cpp
- - rw-r--r-- 3,547 Fragment.h
- - rw-r--r-- 7,885 Metal.cpp
- - rw-r--r-- 1,850 Metal.h
- - rw-r--r-- 9,188 MolStandardize.cpp
- - rw-r--r-- 7,206 MolStandardize.h
- - rw-r--r-- 7,109 Normalize.cpp
- - rw-r--r-- 3,490 Normalize.h
- - rw-r--r-- 21,982 Tautomer.cpp
- - rw-r--r-- 15,993 Tautomer.h
- - rw-r--r-- 8,432 Validate.cpp
- - rw-r--r-- 6,880 Validate.h
- - rw-r--r-- 34,731 catch_tests.cpp
- - rw-r--r-- 68,751 test1.cpp
- - rw-r--r-- 6,245 test2.cpp
- - rw-r--r-- 14,305 testCharge.cpp
- - rw-r--r-- 13,233 testFragment.cpp
- - rw-r--r-- 22,152 testNormalize.cpp
- - rw-r--r-- 11,254 testPCS.cpp
- - rw-r--r-- 53,429 testTautomer.cpp
- - rw-r--r-- 11,829 testValidate.cpp