#include <iostream>
#include "tools.h"
#include "commonDef.h"
#include "pdbstruct.h"
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template<typename SETOFATOMS> | |
void | buildInnerReperOfMolecule (SETOFATOMS &atomsSet, double *gravityCenter, double *axe1, double *axe2, double *axe3) |
template void | buildInnerReperOfMolecule< PDBstructure > (PDBstructure &atomsSet, double *gravityCenter, double *axe1, double *axe2, double *axe3) |
template void | buildInnerReperOfMolecule< setOfAtoms > (setOfAtoms &atomsSet, double *gravityCenter, double *axe1, double *axe2, double *axe3) |
int | giveNumberOfOA (const std::string &atom) |
template<typename SETOFATOMS> | |
void | projectAtomsOnReper (SETOFATOMS &atoms, double *gravityCenter, double *axe1, double *axe2, double *axe3) |
template void | projectAtomsOnReper< PDBstructure > (PDBstructure &atoms, double *gravityCenter, double *axe1, double *axe2, double *axe3) |
template void | projectAtomsOnReper< setOfAtoms > (setOfAtoms &atoms, double *gravityCenter, double *axe1, double *axe2, double *axe3) |
void | readPartitionAndSetColor (std::ifstream &part, std::vector< std::string > &color) |
void | renumLinear (setOfAtoms &atomsSet, std::vector< int > &oldNumerotation) |
bool | skipString (std::ifstream &data, const std::string &keyword) |
void | sortInFirstDimension (setOfAtoms &atoms, std::vector< int > &oldNum) |
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Definition at line 67 of file tools.cpp. Referenced by renumLinear(). |
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Definition at line 177 of file tools.cpp. Referenced by renumLinear(). |
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Definition at line 247 of file tools.cpp. References Core_Zone, Overlap_Zone, and skipString(). Here is the call graph for this function: ![]() |
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Definition at line 46 of file tools.cpp. References buildInnerReperOfMolecule(), projectAtomsOnReper(), and sortInFirstDimension(). Here is the call graph for this function: ![]() |
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Definition at line 203 of file tools.cpp. References atomElement::_xyz, setOfAtoms::fixConnectivity(), setOfAtoms::getElement(), setOfAtoms::numberOfAtoms(), and setOfAtoms::swap(). Here is the call graph for this function: ![]() |