MoleculeQM.C File Reference

#include <stdio.h>
#include <string.h>
#include <stdlib.h>
#include <ctype.h>
#include "ResizeArray.h"
#include "InfoStream.h"
#include "Molecule.h"
#include "strlib.h"
#include "MStream.h"
#include "Communicate.h"
#include "Node.h"
#include "ObjectArena.h"
#include "Parameters.h"
#include "PDB.h"
#include "SimParameters.h"
#include "Hydrogen.h"
#include "UniqueSetIter.h"
#include "charm++.h"
#include "Debug.h"
#include "CompressPsf.h"
#include "ParallelIOMgr.h"
#include <deque>
#include <algorithm>
#include <string>
#include <sstream>
#include <fstream>

Go to the source code of this file.

Classes

class  qmSolvData
struct  refSelStr

Defines

#define MIN_DEBUG_LEVEL   3
#define CODE_REDUNDANT   0

Typedefs

typedef std::vector< refSelStrrefSelStrVec
typedef std::map< Real, refSelStrVecrefSelStrMap
typedef std::pair< Real, refSelStrVecrefSelStrPair
typedef std::pair< int, int > cSMDPair

Functions

std::vector< std::string > split (const std::string &text, std::string delimiter)


Define Documentation

#define CODE_REDUNDANT   0

Definition at line 39 of file MoleculeQM.C.

#define MIN_DEBUG_LEVEL   3

Copyright (c) 1995, 1996, 1997, 1998, 1999, 2000 by The Board of Trustees of the University of Illinois. All rights reserved.

Definition at line 30 of file MoleculeQM.C.


Typedef Documentation

typedef std::pair<int,int> cSMDPair

Definition at line 1725 of file MoleculeQM.C.

typedef std::map<Real, refSelStrVec> refSelStrMap

Definition at line 106 of file MoleculeQM.C.

typedef std::pair<Real,refSelStrVec> refSelStrPair

Definition at line 107 of file MoleculeQM.C.

typedef std::vector<refSelStr> refSelStrVec

Definition at line 105 of file MoleculeQM.C.


Function Documentation

std::vector<std::string> split ( const std::string &  text,
std::string  delimiter 
)

Definition at line 73 of file MoleculeQM.C.

00073                                                                        {
00074     
00075     std::vector<std::string> tokens;
00076     std::size_t start = 0, end = 0;
00077     
00078     while ((end = text.find(delimiter, start)) != std::string::npos) {
00079         
00080         std::string temp = text.substr(start, end - start);
00081         
00082         if (! temp.empty()) tokens.push_back(temp);
00083         
00084         start = end + delimiter.length();
00085     }
00086     
00087     // Gets last item
00088     std::string temp = text.substr(start);
00089     if (! temp.empty()) tokens.push_back(temp);
00090     
00091     return tokens;
00092 }


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