NAMD
eabffunc.h
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1 //
2 // The extended adaptive biasing force method has been contributed to NAMD by the following authors:
3 //
4 // Haohao Fu and Christophe Chipot
5 // Laboratoire International Associ\'e
6 // Centre National de la Recherche Scientifique et University of Illinois at Urbana--Champaign
7 // Unit\'e Mixte de Recherche No. 7565, Universit\'e de Lorraine
8 // B.P. 70239, 54506 Vand\oe uvre-lès-Nancy cedex, France
9 //
10 // Copyright 2016, Centre National de la Recherche Scientifique
11 //
12 
13 #ifndef EABFFUNC_H
14 #define EABFFUNC_H
15 
16 #include <string>
17 #include <sstream>
18 #include <vector>
19 
20 namespace eabffunc
21 {
22 
23  const double BOLTZMANN=0.00198721;
24 
25  // the trim method of string
26  // accept a string, remove the space in the left and right of the string
27  // return the reference of the same string
28  std::string& trim(std::string &s);
29 
30 
31  // the split of string
32  // accept a string, return a vector<string>
33  void split(const std::string &s, std::vector<std::string>& ret);
34 
35  // convert string to int
36  int chartoint(const std::string& c);
37 
38  // convert string to double
39  double chartodouble(const std::string& c);
40 
41  // convert double to int
42  int doubletoint(const double);
43 }
44 
45 #endif // EABFFUNC_H
std::string & trim(std::string &s)
Definition: eabffunc.C:22
int chartoint(const std::string &c)
Definition: eabffunc.C:48
double chartodouble(const std::string &c)
Definition: eabffunc.C:57
void split(const std::string &s, std::vector< std::string > &ret)
Definition: eabffunc.C:37
int doubletoint(const double)
Definition: eabffunc.C:66
const double BOLTZMANN
Definition: eabffunc.h:23