OpenMD 3.0
Molecular Dynamics in the Open
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StringUtils.hpp
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31 * SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your
32 * research, please cite the appropriate papers when you publish your
33 * work. Good starting points are:
34 *
35 * [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
36 * [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
37 * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).
38 * [4] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
39 * [5] Kuang & Gezelter, Mol. Phys., 110, 691-701 (2012).
40 * [6] Lamichhane, Gezelter & Newman, J. Chem. Phys. 141, 134109 (2014).
41 * [7] Lamichhane, Newman & Gezelter, J. Chem. Phys. 141, 134110 (2014).
42 * [8] Bhattarai, Newman & Gezelter, Phys. Rev. B 99, 094106 (2019).
43 */
44
45/**
46 * @file StringUtils.hpp
47 * @author Dan Gezelter
48 * @date 10/18/2004
49 * @version 1.0
50 */
51
52#ifndef UTILS_STRINGUTILS_HPP
53#define UTILS_STRINGUTILS_HPP
54
55#include <cstring>
56#include <fstream>
57#include <iostream>
58#include <sstream>
59#include <string>
60
61namespace OpenMD {
62
63 /**
64 * Converts a string to UPPER CASE
65 * @param S
66 */
67 std::string UpperCase(const std::string& S);
68
69 /**
70 * Finds the location of the string "begin <startText>" in an input stream.
71 * @param theStream
72 * @param startText
73 *
74 * @return the line number of the block within the theStream
75 */
76 int findBegin(std::istream& theStream, const char* startText);
77
78 /**
79 * discovers whether or not the line contains the "end" token
80 *
81 * @param line The line to test
82 *
83 * @return int (==1 if the line has "end", ==0 if not).
84 */
85 int isEndLine(char* line);
86
87 bool CaseInsensitiveEquals(char ch1, char ch2);
88
89 size_t CaseInsensitiveFind(const std::string& str1, const std::string& str2);
90
91 /**
92 * Convert a variable to a string
93 * @tparam T data type
94 * @param v data to be converted
95 * @return a string
96 */
97 template<typename T>
98 std::string toString(const T& v) {
99 std::ostringstream oss;
100 if (!(oss << v)) { std::cerr << "toString Error" << std::endl; }
101 return oss.str();
102 }
103
104 template<typename T>
105 T lexi_cast(const std::string& str) {
106 T result;
107 std::istringstream iss(str);
108 if (!(iss >> result)) { std::cerr << "lexi_cast Error" << std::endl; }
109 return result;
110 }
111
112 template<typename T>
113 bool isType(const std::string& str) {
114 T result;
115 std::istringstream iss(str);
116 bool ret = true;
117 if (!(iss >> result)) { ret = false; }
118 return ret;
119 }
120
121 bool isInteger(const std::string& str);
122
123 std::string OpenMD_itoa(int value, unsigned int base = 10);
124
125 /**@todo need implementation */
126 std::string getPrefix(const std::string& str);
127
128 template<class ContainerType>
129 std::string containerToString(const ContainerType& cont) {
130 std::ostringstream oss;
131 oss << "(";
132 typename ContainerType::const_iterator i = cont.begin();
133 if (i != cont.end()) {
134 oss << *i;
135 ++i;
136 }
137 for (; i != cont.end(); ++i) {
138 oss << ", ";
139 oss << *i;
140 }
141 oss << ")";
142 return oss.str();
143 }
144} // namespace OpenMD
145
146#endif
This basic Periodic Table class was originally taken from the data.cpp file in OpenBabel.
std::string UpperCase(const std::string &S)
Converts a string to UPPER CASE.
int findBegin(std::istream &theStream, const char *startText)
Finds the location of the string "begin <startText>" in an input stream.
std::string getPrefix(const std::string &str)
std::string toString(const T &v)
Convert a variable to a string.
int isEndLine(char *line)
discovers whether or not the line contains the "end" token