#include <O3AAlignMolecules.h>
|
| LAP (unsigned int dim) |
|
| ~LAP () |
|
int | getCost (const unsigned int i, const unsigned int j) |
|
int | getRowSol (const unsigned int i) |
|
void | computeMinCostPath (const int dim) |
|
void | computeCostMatrix (const ROMol &prbMol, const MolHistogram &prbHist, const ROMol &refMol, const MolHistogram &refHist, O3AConstraintVect *o3aConstraintVect, int(*costFunc)(const unsigned int, const unsigned int, double, void *), void *data, const unsigned int n_bins=O3_MAX_H_BINS) |
|
Definition at line 145 of file O3AAlignMolecules.h.
RDKit::MolAlign::LAP::LAP |
( |
unsigned int |
dim | ) |
|
|
inline |
RDKit::MolAlign::LAP::~LAP |
( |
| ) |
|
|
inline |
void RDKit::MolAlign::LAP::computeCostMatrix |
( |
const ROMol & |
prbMol, |
|
|
const MolHistogram & |
prbHist, |
|
|
const ROMol & |
refMol, |
|
|
const MolHistogram & |
refHist, |
|
|
O3AConstraintVect * |
o3aConstraintVect, |
|
|
int(*)(const unsigned int, const unsigned int, double, void *) |
costFunc, |
|
|
void * |
data, |
|
|
const unsigned int |
n_bins = O3_MAX_H_BINS |
|
) |
| |
void RDKit::MolAlign::LAP::computeMinCostPath |
( |
const int |
dim | ) |
|
int RDKit::MolAlign::LAP::getCost |
( |
const unsigned int |
i, |
|
|
const unsigned int |
j |
|
) |
| |
|
inline |
int RDKit::MolAlign::LAP::getRowSol |
( |
const unsigned int |
i | ) |
|
|
inline |
The documentation for this class was generated from the following file: