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Folder: GraphMol
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| d | rwxr-xr-x | 4,096 | Abbreviations | |
| d | rwxr-xr-x | 30 | Basement | |
| d | rwxr-xr-x | 4,096 | CIPLabeler | |
| d | rwxr-xr-x | 4,096 | ChemReactions | |
| d | rwxr-xr-x | 4,096 | ChemTransforms | |
| d | rwxr-xr-x | 4,096 | Depictor | |
| d | rwxr-xr-x | 124 | Deprotect | |
| d | rwxr-xr-x | 4,096 | Descriptors | |
| d | rwxr-xr-x | 4,096 | DistGeomHelpers | |
| d | rwxr-xr-x | 4,096 | FMCS | |
| d | rwxr-xr-x | 4,096 | FileParsers | |
| d | rwxr-xr-x | 4,096 | FilterCatalog | |
| d | rwxr-xr-x | 4,096 | Fingerprints | |
| d | rwxr-xr-x | 125 | ForceFieldHelpers | |
| d | rwxr-xr-x | 4,096 | FragCatalog | |
| d | rwxr-xr-x | 114 | MMPA | |
| d | rwxr-xr-x | 4,096 | MolAlign | |
| d | rwxr-xr-x | 4,096 | MolCatalog | |
| d | rwxr-xr-x | 4,096 | MolChemicalFeatures | |
| d | rwxr-xr-x | 4,096 | MolDraw2D | |
| d | rwxr-xr-x | 4,096 | MolEnumerator | |
| d | rwxr-xr-x | 4,096 | MolHash | |
| d | rwxr-xr-x | 4,096 | MolInterchange | |
| d | rwxr-xr-x | 4,096 | MolStandardize | |
| d | rwxr-xr-x | 4,096 | MolTransforms | |
| d | rwxr-xr-x | 4,096 | PartialCharges | |
| d | rwxr-xr-x | 4,096 | RGroupDecomposition | |
| d | rwxr-xr-x | 124 | ReducedGraphs | |
| d | rwxr-xr-x | 4,096 | SLNParse | |
| d | rwxr-xr-x | 4,096 | ScaffoldNetwork | |
| d | rwxr-xr-x | 4,096 | ShapeHelpers | |
| d | rwxr-xr-x | 4,096 | SmilesParse | |
| d | rwxr-xr-x | 4,096 | StructChecker | |
| d | rwxr-xr-x | 4,096 | Subgraphs | |
| d | rwxr-xr-x | 4,096 | Substruct | |
| d | rwxr-xr-x | 4,096 | SubstructLibrary | |
| d | rwxr-xr-x | 130 | TautomerQuery | |
| d | rwxr-xr-x | 133 | Trajectory | |
| d | rwxr-xr-x | 4,096 | Wrap | |
| d | rwxr-xr-x | 29 | libs | |
| d | rwxr-xr-x | 29 | testExecs | |
| d | rwxr-xr-x | 4,096 | test_data | |
| - | rw-r--r-- | 42,943 | AddHs.cpp | |
| - | rw-r--r-- | 19,124 | AdjustQuery.cpp | |
| - | rw-r--r-- | 30,052 | Aromaticity.cpp | |
| - | rw-r--r-- | 22,399 | Atom.cpp | |
| - | rw-r--r-- | 14,528 | Atom.h | |
| - | rw-r--r-- | 17,779 | AtomIterators.cpp | |
| - | rw-r--r-- | 5,673 | AtomIterators.h | |
| - | rw-r--r-- | 7,773 | Bond.cpp | |
| - | rw-r--r-- | 10,602 | Bond.h | |
| - | rw-r--r-- | 3,487 | BondIterators.cpp | |
| - | rw-r--r-- | 2,358 | BondIterators.h | |
| - | rw-r--r-- | 5,217 | CMakeLists.txt | |
| - | rw-r--r-- | 49,318 | Canon.cpp | |
| - | rw-r--r-- | 4,161 | Canon.h | |
| - | rw-r--r-- | 97,928 | Chirality.cpp | |
| - | rw-r--r-- | 4,144 | Chirality.h | |
| - | rw-r--r-- | 1,874 | Conformer.cpp | |
| - | rw-r--r-- | 4,754 | Conformer.h | |
| - | rw-r--r-- | 5,681 | ConjugHybrid.cpp | |
| - | rw-r--r-- | 47,334 | FindRings.cpp | |
| - | rw-r--r-- | 21,574 | FindStereo.cpp | |
| - | rw-r--r-- | 363 | GraphMol.cpp | |
| - | rw-r--r-- | 479 | GraphMol.h | |
| - | rw-r--r-- | 22,879 | Kekulize.cpp | |
| - | rw-r--r-- | 11,775 | Matrices.cpp | |
| - | rw-r--r-- | 3,523 | MolBundle.h | |
| - | rw-r--r-- | 3,415 | MolDiscriminators.cpp | |
| - | rw-r--r-- | 26,618 | MolOps.cpp | |
| - | rw-r--r-- | 41,950 | MolOps.h | |
| - | rw-r--r-- | 76,523 | MolPickler.cpp | |
| - | rw-r--r-- | 9,374 | MolPickler.h | |
| - | rw-r--r-- | 5,554 | MonomerInfo.h | |
| - | rw-r--r-- | 3,404 | PeriodicTable.cpp | |
| - | rw-r--r-- | 11,301 | PeriodicTable.h | |
| - | rw-r--r-- | 6,290 | QueryAtom.cpp | |
| - | rw-r--r-- | 4,307 | QueryAtom.h | |
| - | rw-r--r-- | 6,139 | QueryBond.cpp | |
| - | rw-r--r-- | 3,794 | QueryBond.h | |
| - | rw-r--r-- | 23,055 | QueryOps.cpp | |
| - | rw-r--r-- | 36,728 | QueryOps.h | |
| - | rw-r--r-- | 852 | RDKitBase.h | |
| - | rw-r--r-- | 581 | RDKitQueries.h | |
| - | rw-r--r-- | 18,817 | ROMol.cpp | |
| - | rw-r--r-- | 23,578 | ROMol.h | |
| - | rw-r--r-- | 14,168 | RWMol.cpp | |
| - | rw-r--r-- | 6,816 | RWMol.h | |
| - | rw-r--r-- | 3,343 | Renumber.cpp | |
| - | rw-r--r-- | 65,205 | Resonance.cpp | |
| - | rw-r--r-- | 9,598 | Resonance.h | |
| - | rw-r--r-- | 5,003 | RingInfo.cpp | |
| - | rw-r--r-- | 6,428 | RingInfo.h | |
| - | rw-r--r-- | 3,460 | Rings.h | |
| - | rw-r--r-- | 4,180 | SanitException.h | |
| - | rw-r--r-- | 1,440 | StereoGroup.cpp | |
| - | rw-r--r-- | 2,056 | StereoGroup.h | |
| - | rw-r--r-- | 13,529 | SubstanceGroup.cpp | |
| - | rw-r--r-- | 8,477 | SubstanceGroup.h | |
| - | rwxr-xr-x | 703 | UnitTestQueryMol.py | |
| - | rw-r--r-- | 94,373 | atomic_data.cpp | |
| - | rw-r--r-- | 2,193 | atomic_data.h | |
| - | rw-r--r-- | 1,924 | bulktest.cpp | |
| - | rw-r--r-- | 21,162 | catch_adjustquery.cpp | |
| - | rw-r--r-- | 48,172 | catch_chirality.cpp | |
| - | rw-r--r-- | 46,648 | catch_graphmol.cpp | |
| - | rw-r--r-- | 415 | catch_main.cpp | |
| - | rw-r--r-- | 13,271 | catch_sgroups.cpp | |
| - | rw-r--r-- | 3,981 | cptest.cpp | |
| - | rw-r--r-- | 373 | details.h | |
| - | rw-r--r-- | 59,781 | hanoitest.cpp | |
| - | rw-r--r-- | 10,992 | itertest.cpp | |
| - | rw-r--r-- | 5,647 | memtest1.cpp | |
| - | rw-r--r-- | 270,009 | molopstest.cpp | |
| - | rw-r--r-- | 24,854 | new_canon.cpp | |
| - | rw-r--r-- | 24,108 | new_canon.h | |
| - | rw-r--r-- | 27,433 | querytest.cpp | |
| - | rw-r--r-- | 52 | regress.txt | |
| - | rw-r--r-- | 35,060 | resMolSupplierTest.cpp | |
| - | rw-r--r-- | 2,420 | sanitTest.cpp | |
| - | rw-r--r-- | 2,058 | test-valgrind.cpp | |
| - | rw-r--r-- | 50,896 | test1.cpp | |
| - | rw-r--r-- | 110,311 | testChirality.cpp | |
| - | rw-r--r-- | 5,732 | testMolBundle.cpp | |
| - | rw-r--r-- | 47,242 | testPickler.cpp | |
| - | rw-r--r-- | 8,881 | testPicklerGlobalSettings.cpp | |
| - | rw-r--r-- | 35,777 | testSGroup.cpp |
