# | Line 6 | Line 6 | |
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6 | * redistribute this software in source and binary code form, provided | |
7 | * that the following conditions are met: | |
8 | * | |
9 | < | * 1. Acknowledgement of the program authors must be made in any |
10 | < | * publication of scientific results based in part on use of the |
11 | < | * program. An acceptable form of acknowledgement is citation of |
12 | < | * the article in which the program was described (Matthew |
13 | < | * A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher |
14 | < | * J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented |
15 | < | * Parallel Simulation Engine for Molecular Dynamics," |
16 | < | * J. Comput. Chem. 26, pp. 252-271 (2005)) |
17 | < | * |
18 | < | * 2. Redistributions of source code must retain the above copyright |
9 | > | * 1. Redistributions of source code must retain the above copyright |
10 | * notice, this list of conditions and the following disclaimer. | |
11 | * | |
12 | < | * 3. Redistributions in binary form must reproduce the above copyright |
12 | > | * 2. Redistributions in binary form must reproduce the above copyright |
13 | * notice, this list of conditions and the following disclaimer in the | |
14 | * documentation and/or other materials provided with the | |
15 | * distribution. | |
# | Line 37 | Line 28 | |
28 | * arising out of the use of or inability to use software, even if the | |
29 | * University of Notre Dame has been advised of the possibility of | |
30 | * such damages. | |
31 | + | * |
32 | + | * SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your |
33 | + | * research, please cite the appropriate papers when you publish your |
34 | + | * work. Good starting points are: |
35 | + | * |
36 | + | * [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
37 | + | * [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
38 | + | * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
39 | + | * [4] Vardeman & Gezelter, in progress (2009). |
40 | */ | |
41 | < | |
41 | > | |
42 | > | #include <algorithm> |
43 | #include "utils/StringUtils.hpp" | |
44 | ||
45 | < | namespace oopse { |
45 | > | namespace OpenMD { |
46 | std::string UpperCase(const std::string& S) { | |
47 | std::string uc = S; | |
48 | unsigned int n = uc.size(); | |
# | Line 90 | Line 91 | namespace oopse { | |
91 | return (str); | |
92 | } | |
93 | ||
94 | < | int findBegin(std::istream &theStream, char* startText ){ |
94 | > | int findBegin(std::istream &theStream, const char* startText ){ |
95 | const int MAXLEN = 1024; | |
96 | char readLine[MAXLEN]; | |
97 | int foundText = 0; | |
# | Line 178 | Line 179 | namespace oopse { | |
179 | return 0; | |
180 | } | |
181 | ||
182 | < | std::string OOPSE_itoa(int value, unsigned int base = 10) { |
182 | > | std::string OpenMD_itoa(int value, unsigned int base) { |
183 | const char digitMap[] = "0123456789abcdef"; | |
184 | std::string buf; | |
185 | ||
# | Line 217 | Line 218 | namespace oopse { | |
218 | return str.substr(0, str.find('.')); | |
219 | } | |
220 | ||
221 | + | bool isInteger(const std::string& str) { |
222 | + | |
223 | + | bool result = false; |
224 | + | |
225 | + | std::string::const_iterator i = str.begin(); |
226 | + | if (i != str.end() && (*i == '+' || *i == '-' || std::isdigit(*i) )) { |
227 | + | ++i; |
228 | + | while (i != str.end() && std::isdigit(*i)) |
229 | + | ++i; |
230 | + | if (i == str.end()) |
231 | + | result = true; |
232 | + | } |
233 | + | |
234 | + | return result; |
235 | } | |
236 | + | |
237 | + | bool CaseInsensitiveEquals(const char ch1, const char ch2) { |
238 | + | return std::toupper((unsigned char)ch1) == std::toupper((unsigned char)ch2); |
239 | + | } |
240 | + | |
241 | + | size_t CaseInsensitiveFind(const std::string& str1, const std::string& str2) { |
242 | + | std::string::const_iterator pos = std::search(str1.begin(), str1.end(), str2.begin(), str2.end(), CaseInsensitiveEquals); |
243 | + | if (pos == str1.end()) |
244 | + | return std::string::npos; |
245 | + | else |
246 | + | return pos - str1.begin(); |
247 | + | } |
248 | + | |
249 | + | } |
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