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SmilesCompound Struct Reference


Data Fields

char * smiles
int counter
StringArray_Ptr sAPtr
dt_Handle moleculeHandle
dt_Handle fingerprintHandle

Field Documentation

int SmilesCompound::counter
 

Definition at line 76 of file smilesCompound.c.

Referenced by SmilesCompound_copy(), SmilesCompound_create(), SmilesCompound_getCounter(), and SmilesCompound_setCounter().

dt_Handle SmilesCompound::fingerprintHandle
 

Definition at line 79 of file smilesCompound.c.

dt_Handle SmilesCompound::moleculeHandle
 

Definition at line 78 of file smilesCompound.c.

Referenced by SmilesCompound_copy(), SmilesCompound_create(), SmilesCompound_destroy(), SmilesCompound_getMoleculeHandle(), SmilesCompound_setMoleculeHandle(), and SmilesCompound_setSmiles().

StringArray_Ptr SmilesCompound::sAPtr
 

Definition at line 77 of file smilesCompound.c.

Referenced by SmilesCompound_addName(), SmilesCompound_copy(), SmilesCompound_create(), SmilesCompound_destroy(), SmilesCompound_display(), SmilesCompound_getStringArrayOfNames(), SmilesCompound_setName(), and SmilesCompound_setSmiles().

char* SmilesCompound::smiles
 

Definition at line 75 of file smilesCompound.c.

Referenced by SmilesCompound_copy(), SmilesCompound_create(), SmilesCompound_destroy(), SmilesCompound_getSmiles(), and SmilesCompound_setSmiles().


The documentation for this struct was generated from the following file:
Generated on Mon Nov 8 16:04:07 2004 for countSmarts by doxygen 1.3.6