| 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, 234107 (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 "config.h" |
| 44 |
> |
#include <algorithm> |
| 45 |
> |
#include <stdlib.h> |
| 46 |
> |
#include <cctype> |
| 47 |
> |
#include <cstdlib> |
| 48 |
> |
#include <string> |
| 49 |
|
#include "utils/StringUtils.hpp" |
| 50 |
|
|
| 51 |
< |
namespace oopse { |
| 51 |
> |
#ifdef _MSC_VER |
| 52 |
> |
#define strcasecmp _stricmp |
| 53 |
> |
#define strdup _strdup |
| 54 |
> |
#define strtoull _strtoui64 |
| 55 |
> |
#endif |
| 56 |
> |
|
| 57 |
> |
|
| 58 |
> |
namespace OpenMD { |
| 59 |
|
std::string UpperCase(const std::string& S) { |
| 60 |
|
std::string uc = S; |
| 61 |
|
unsigned int n = uc.size(); |
| 104 |
|
return (str); |
| 105 |
|
} |
| 106 |
|
|
| 107 |
< |
int findBegin(std::istream &theStream, char* startText ){ |
| 107 |
> |
int findBegin(std::istream &theStream, const char* startText ){ |
| 108 |
|
const int MAXLEN = 1024; |
| 109 |
|
char readLine[MAXLEN]; |
| 110 |
|
int foundText = 0; |
| 111 |
|
int lineNum; |
| 112 |
|
char* the_token; |
| 99 |
– |
char* eof_test; |
| 113 |
|
|
| 114 |
|
// rewind the stream |
| 115 |
|
theStream.seekg (0, std::ios::beg); |
| 183 |
|
foo = strtok(working_line, " ,;\t"); |
| 184 |
|
|
| 185 |
|
if (foo != NULL) { |
| 186 |
+ |
|
| 187 |
+ |
if (!strcasecmp(foo, "end")) { |
| 188 |
+ |
free(working_line); |
| 189 |
+ |
return 1; |
| 190 |
+ |
} |
| 191 |
|
|
| 174 |
– |
if (!strcasecmp(foo, "end")) return 1; |
| 175 |
– |
|
| 192 |
|
} |
| 193 |
|
|
| 194 |
+ |
free(working_line); |
| 195 |
|
return 0; |
| 196 |
|
} |
| 197 |
|
|
| 198 |
< |
std::string OOPSE_itoa(int value, unsigned int base) { |
| 198 |
> |
std::string OpenMD_itoa(int value, unsigned int base) { |
| 199 |
|
const char digitMap[] = "0123456789abcdef"; |
| 200 |
|
std::string buf; |
| 201 |
|
|
| 233 |
|
std::string getSuffix(const std::string& str) { |
| 234 |
|
return str.substr(0, str.find('.')); |
| 235 |
|
} |
| 236 |
< |
|
| 237 |
< |
bool isInteger(const std::string& str) { |
| 238 |
< |
|
| 236 |
> |
|
| 237 |
> |
bool isInteger(const std::string& str) { |
| 238 |
> |
|
| 239 |
|
bool result = false; |
| 240 |
< |
|
| 240 |
> |
|
| 241 |
|
std::string::const_iterator i = str.begin(); |
| 242 |
|
if (i != str.end() && (*i == '+' || *i == '-' || std::isdigit(*i) )) { |
| 243 |
< |
++i; |
| 244 |
< |
while (i != str.end() && std::isdigit(*i)) |
| 245 |
< |
++i; |
| 246 |
< |
if (i == str.end()) |
| 247 |
< |
result = true; |
| 243 |
> |
++i; |
| 244 |
> |
while (i != str.end() && std::isdigit(*i)) |
| 245 |
> |
++i; |
| 246 |
> |
if (i == str.end()) |
| 247 |
> |
result = true; |
| 248 |
|
} |
| 249 |
|
|
| 250 |
|
return result; |
| 251 |
< |
} |
| 251 |
> |
} |
| 252 |
|
|
| 253 |
+ |
bool CaseInsensitiveEquals(const char ch1, const char ch2) { |
| 254 |
+ |
return std::toupper((unsigned char)ch1) == std::toupper((unsigned char)ch2); |
| 255 |
+ |
} |
| 256 |
+ |
|
| 257 |
+ |
size_t CaseInsensitiveFind(const std::string& str1, const std::string& str2) { |
| 258 |
+ |
std::string::const_iterator pos = std::search(str1.begin(), str1.end(), str2.begin(), str2.end(), CaseInsensitiveEquals); |
| 259 |
+ |
if (pos == str1.end()) |
| 260 |
+ |
return std::string::npos; |
| 261 |
+ |
else |
| 262 |
+ |
return pos - str1.begin(); |
| 263 |
+ |
} |
| 264 |
+ |
|
| 265 |
+ |
/** |
| 266 |
+ |
* memparse - parse a string with mem suffixes into a number |
| 267 |
+ |
* @param ptr: Where parse begins |
| 268 |
+ |
* @param retptr: (output) Pointer to next char after parse completes |
| 269 |
+ |
* |
| 270 |
+ |
* Parses a string into a number. The number stored at @param ptr is |
| 271 |
+ |
* potentially suffixed with %K (for kilobytes, or 1024 bytes), |
| 272 |
+ |
* %M (for megabytes, or 1048576 bytes), or %G (for gigabytes, or |
| 273 |
+ |
* 1073741824). If the number is suffixed with K, M, or G, then |
| 274 |
+ |
* the return value is the number multiplied by one kilobyte, one |
| 275 |
+ |
* megabyte, or one gigabyte, respectively. |
| 276 |
+ |
*/ |
| 277 |
+ |
unsigned long long memparse (char *ptr, char **retptr) { |
| 278 |
+ |
unsigned long long ret = strtoull (ptr, retptr, 0); |
| 279 |
+ |
|
| 280 |
+ |
switch (**retptr) { |
| 281 |
+ |
case 'G': |
| 282 |
+ |
case 'g': |
| 283 |
+ |
ret <<= 10; |
| 284 |
+ |
case 'M': |
| 285 |
+ |
case 'm': |
| 286 |
+ |
ret <<= 10; |
| 287 |
+ |
case 'K': |
| 288 |
+ |
case 'k': |
| 289 |
+ |
ret <<= 10; |
| 290 |
+ |
(*retptr)++; |
| 291 |
+ |
default: |
| 292 |
+ |
break; |
| 293 |
+ |
} |
| 294 |
+ |
return ret; |
| 295 |
+ |
} |
| 296 |
+ |
|
| 297 |
|
} |
