#include <GraphMol/Subgraphs/Subgraphs.h>#include <GraphMol/RDKitBase.h>#include <GraphMol/Substruct/SubstructMatch.h>#include "FragCatParams.h"#include <iostream>Go to the source code of this file.
Namespaces | |
| namespace | RDKit |
Functions | |
| MOL_SPTR_VECT | RDKit::readFuncGroups (std::string fileName) |
| MOL_SPTR_VECT | RDKit::readFuncGroups (std::istream &inStream, int nToRead=-1) |
| MatchVectType | RDKit::findFuncGroupsOnMol (const ROMol &mol, const FragCatParams *params, INT_VECT &fgBonds) |
| ROMol * | RDKit::prepareMol (const ROMol &mol, const FragCatParams *fparams, MatchVectType &aToFmap) |
1.5.5