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Searched defs:fsmi (Results 1 – 4 of 4) sorted by relevance

/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/FMCS/Test/
H A DtestFMCS.cpp527 FILE* fsmi = fopen(testsmi, "wt"); in testChEMBL_Txt() local
1215 FILE* fsmi = fopen(smiName, "rt"); in testFileSDF_RandomSet_SMI() local
1312 FILE* fsmi = fopen(smiName, "wt"); in testFileSDF_RandomSet() local
1380 FILE* fsmi = fopen(smiName, "wt"); in testFileSDF_RandomSet() local
1504 FILE* fsmi = fopen(smiName, "wt"); in testFileSDF_RandomSet() local
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/ScaffoldNetwork/
H A DScaffoldNetwork.cpp215 auto fsmi = MolToSmiles(*fmol); in addMolToNetwork() local
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/Fingerprints/
H A DFingerprints.cpp341 std::string fsmi = MolFragmentToSmiles(mol, atomsToUse, &path); in RDKFingerprintMol() local
/dports/math/reduce/Reduce-svn5758-src/csl/fox/src/
H A DFXShowMath.cpp500 #define fsmi mathFont[FntItalic+FntScript] macro