eabffunc.h

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00001 //
00002 // The extended adaptive biasing force method has been contributed to NAMD by the following authors:
00003 //
00004 //    Haohao Fu and Christophe Chipot
00005 //    Laboratoire International Associ\'e
00006 //    Centre National de la Recherche Scientifique et University of Illinois at Urbana--Champaign
00007 //    Unit\'e Mixte de Recherche No. 7565, Universit\'e de Lorraine
00008 //    B.P. 70239, 54506 Vand\oe uvre-lès-Nancy cedex, France
00009 //
00010 // Copyright 2016, Centre National de la Recherche Scientifique
00011 //
00012 
00013 #ifndef EABFFUNC_H
00014 #define EABFFUNC_H
00015 
00016 #include <string>
00017 #include <sstream>
00018 #include <vector>
00019 
00020 namespace eabffunc
00021 {
00022 
00023     const double BOLTZMANN=0.00198721;
00024 
00025     // the trim method of string
00026     // accept a string, remove the space in the left and right of the string
00027     // return the reference of the same string
00028         std::string& trim(std::string &s);
00029 
00030 
00031     // the split of string
00032     // accept a string, return a vector<string>
00033         void split(const std::string &s, std::vector<std::string>& ret);
00034 
00035     // convert string to int
00036         int chartoint(const std::string& c);
00037 
00038     // convert string to double
00039         double chartodouble(const std::string& c);
00040 
00041         // convert double to int
00042         int doubletoint(const double);
00043 }
00044 
00045 #endif // EABFFUNC_H

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