newTools.h File Reference

#include <vector>
#include <cmath>
#include "Atoms.h"

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Functions

std::string convertToString (const int n)
double distance (double *P1, double *P2)
int giveNumberOfOA (const std::string &atom)
int posAtomInString (std::string &atomName)
void readPartitionAndSetColor (std::ifstream &part, std::vector< std::string > &color)
void renumLinear (setOfAtoms &atomsSet, std::vector< int > &newNumerotation)
bool skipString (std::ifstream &data, const std::string &keyword)
void sortInFirstDimension (setOfAtoms &atoms, std::vector< int > &newNum)


Function Documentation

std::string convertToString const int  n  )  [inline]
 

Definition at line 31 of file newTools.h.

double distance double *  P1,
double *  P2
[inline]
 

Definition at line 59 of file newTools.h.

Referenced by AAPartition::setNeigboors().

int giveNumberOfOA const std::string &  atom  ) 
 

Definition at line 8 of file newTools.cpp.

int posAtomInString std::string &  atomName  )  [inline]
 

Definition at line 37 of file newTools.h.

Referenced by PDBstructure::writeQCIFile(), PDBstructure::writeXYZFile(), and PDBstructure::writeXYZFileForAtoms().

void readPartitionAndSetColor std::ifstream &  part,
std::vector< std::string > &  color
 

Definition at line 84 of file newTools.cpp.

void renumLinear setOfAtoms atomsSet,
std::vector< int > &  newNumerotation
 

Definition at line 46 of file tools.cpp.

Referenced by main().

bool skipString std::ifstream &  data,
const std::string &  keyword
 

Definition at line 23 of file newTools.cpp.

void sortInFirstDimension setOfAtoms atoms,
std::vector< int > &  newNum
 

Definition at line 40 of file newTools.cpp.


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