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rdkit 202503.1-5
  • links: PTS, VCS
  • area: main
  • in suites: sid
  • 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: 580; xml: 229; fortran: 183; sh: 105

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 4,096 test_data
- - rw-r--r-- 2,641 CMakeLists.txt
- - rw-r--r-- 18,975 Charge.cpp
- - rw-r--r-- 5,681 Charge.h
- - rw-r--r-- 9,705 Fragment.cpp
- - rw-r--r-- 3,627 Fragment.h
- - rw-r--r-- 10,474 Metal.cpp
- - rw-r--r-- 2,981 Metal.h
- - rw-r--r-- 16,930 MolStandardize.cpp
- - rw-r--r-- 12,579 MolStandardize.h
- - rw-r--r-- 9,576 Normalize.cpp
- - rw-r--r-- 3,528 Normalize.h
- - rw-r--r-- 20,099 Pipeline.cpp
- - rw-r--r-- 10,588 Pipeline.h
- - rw-r--r-- 23,259 Tautomer.cpp
- - rw-r--r-- 17,988 Tautomer.h
- - rw-r--r-- 34,278 Validate.cpp
- - rw-r--r-- 11,341 Validate.h
- - rw-r--r-- 58,336 catch_tests.cpp
- - rw-r--r-- 74,257 test1.cpp
- - rw-r--r-- 6,075 test2.cpp
- - rw-r--r-- 18,199 testCharge.cpp
- - rw-r--r-- 14,537 testFragment.cpp
- - rw-r--r-- 23,200 testNormalize.cpp
- - rw-r--r-- 11,254 testPCS.cpp
- - rw-r--r-- 73,222 testPipeline.cpp
- - rw-r--r-- 55,832 testTautomer.cpp
- - rw-r--r-- 43,136 testValidate.cpp