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. |
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] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
40 |
+ |
* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
41 |
|
*/ |
42 |
< |
|
42 |
> |
|
43 |
> |
#include <algorithm> |
44 |
> |
#include <stdlib.h> |
45 |
|
#include "utils/StringUtils.hpp" |
46 |
|
|
47 |
< |
namespace oopse { |
47 |
> |
namespace OpenMD { |
48 |
|
std::string UpperCase(const std::string& S) { |
49 |
|
std::string uc = S; |
50 |
|
unsigned int n = uc.size(); |
93 |
|
return (str); |
94 |
|
} |
95 |
|
|
96 |
< |
int findBegin(std::istream &theStream, char* startText ){ |
96 |
> |
int findBegin(std::istream &theStream, const char* startText ){ |
97 |
|
const int MAXLEN = 1024; |
98 |
|
char readLine[MAXLEN]; |
99 |
|
int foundText = 0; |
181 |
|
return 0; |
182 |
|
} |
183 |
|
|
184 |
< |
std::string OOPSE_itoa(int value, unsigned int base) { |
184 |
> |
std::string OpenMD_itoa(int value, unsigned int base) { |
185 |
|
const char digitMap[] = "0123456789abcdef"; |
186 |
|
std::string buf; |
187 |
|
|
219 |
|
std::string getSuffix(const std::string& str) { |
220 |
|
return str.substr(0, str.find('.')); |
221 |
|
} |
222 |
+ |
|
223 |
+ |
bool isInteger(const std::string& str) { |
224 |
+ |
|
225 |
+ |
bool result = false; |
226 |
+ |
|
227 |
+ |
std::string::const_iterator i = str.begin(); |
228 |
+ |
if (i != str.end() && (*i == '+' || *i == '-' || std::isdigit(*i) )) { |
229 |
+ |
++i; |
230 |
+ |
while (i != str.end() && std::isdigit(*i)) |
231 |
+ |
++i; |
232 |
+ |
if (i == str.end()) |
233 |
+ |
result = true; |
234 |
+ |
} |
235 |
+ |
|
236 |
+ |
return result; |
237 |
+ |
} |
238 |
|
|
239 |
+ |
bool CaseInsensitiveEquals(const char ch1, const char ch2) { |
240 |
+ |
return std::toupper((unsigned char)ch1) == std::toupper((unsigned char)ch2); |
241 |
+ |
} |
242 |
+ |
|
243 |
+ |
size_t CaseInsensitiveFind(const std::string& str1, const std::string& str2) { |
244 |
+ |
std::string::const_iterator pos = std::search(str1.begin(), str1.end(), str2.begin(), str2.end(), CaseInsensitiveEquals); |
245 |
+ |
if (pos == str1.end()) |
246 |
+ |
return std::string::npos; |
247 |
+ |
else |
248 |
+ |
return pos - str1.begin(); |
249 |
+ |
} |
250 |
+ |
|
251 |
+ |
/** |
252 |
+ |
* memparse - parse a string with mem suffixes into a number |
253 |
+ |
* @ptr: Where parse begins |
254 |
+ |
* @retptr: (output) Pointer to next char after parse completes |
255 |
+ |
* |
256 |
+ |
* Parses a string into a number. The number stored at @ptr is |
257 |
+ |
* potentially suffixed with %K (for kilobytes, or 1024 bytes), |
258 |
+ |
* %M (for megabytes, or 1048576 bytes), or %G (for gigabytes, or |
259 |
+ |
* 1073741824). If the number is suffixed with K, M, or G, then |
260 |
+ |
* the return value is the number multiplied by one kilobyte, one |
261 |
+ |
* megabyte, or one gigabyte, respectively. |
262 |
+ |
*/ |
263 |
+ |
unsigned long long memparse (char *ptr, char **retptr) { |
264 |
+ |
unsigned long long ret = strtoull (ptr, retptr, 0); |
265 |
+ |
|
266 |
+ |
switch (**retptr) { |
267 |
+ |
case 'G': |
268 |
+ |
case 'g': |
269 |
+ |
ret <<= 10; |
270 |
+ |
case 'M': |
271 |
+ |
case 'm': |
272 |
+ |
ret <<= 10; |
273 |
+ |
case 'K': |
274 |
+ |
case 'k': |
275 |
+ |
ret <<= 10; |
276 |
+ |
(*retptr)++; |
277 |
+ |
default: |
278 |
+ |
break; |
279 |
+ |
} |
280 |
+ |
return ret; |
281 |
+ |
} |
282 |
+ |
|
283 |
|
} |