| 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]  Vardeman & Gezelter, in progress (2009). | 
| 40 |  | */ | 
| 41 |  |  | 
| 42 | < | #include <algorithm> | 
| 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(); | 
| 179 |  | return 0; | 
| 180 |  | } | 
| 181 |  |  | 
| 182 | < | std::string OOPSE_itoa(int value, unsigned int base) { | 
| 182 | > | std::string OpenMD_itoa(int value, unsigned int base) { | 
| 183 |  | const char digitMap[] = "0123456789abcdef"; | 
| 184 |  | std::string buf; | 
| 185 |  |  | 
| 218 |  | return str.substr(0, str.find('.')); | 
| 219 |  | } | 
| 220 |  |  | 
| 221 | < | bool isInteger(const std::string& str) { | 
| 222 | < |  | 
| 221 | > | bool isInteger(const std::string& str) { | 
| 222 | > |  | 
| 223 |  | bool result = false; | 
| 224 | < |  | 
| 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; | 
| 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 | < |  | 
| 235 | > | } | 
| 236 | > |  | 
| 237 |  | bool CaseInsensitiveEquals(const char ch1, const char ch2) { | 
| 238 |  | return std::toupper((unsigned char)ch1) == std::toupper((unsigned char)ch2); | 
| 239 |  | } | 
| 246 |  | return pos - str1.begin(); | 
| 247 |  | } | 
| 248 |  |  | 
| 249 | + | /** | 
| 250 | + | *    memparse - parse a string with mem suffixes into a number | 
| 251 | + | *    @ptr: Where parse begins | 
| 252 | + | *    @retptr: (output) Pointer to next char after parse completes | 
| 253 | + | * | 
| 254 | + | *    Parses a string into a number.  The number stored at @ptr is | 
| 255 | + | *    potentially suffixed with %K (for kilobytes, or 1024 bytes), | 
| 256 | + | *    %M (for megabytes, or 1048576 bytes), or %G (for gigabytes, or | 
| 257 | + | *    1073741824).  If the number is suffixed with K, M, or G, then | 
| 258 | + | *    the return value is the number multiplied by one kilobyte, one | 
| 259 | + | *    megabyte, or one gigabyte, respectively. | 
| 260 | + | */ | 
| 261 | + | unsigned long long memparse (char *ptr,  char **retptr) { | 
| 262 | + | unsigned long long ret = strtoull (ptr, retptr, 0); | 
| 263 | + |  | 
| 264 | + | switch (**retptr) { | 
| 265 | + | case 'G': | 
| 266 | + | case 'g': | 
| 267 | + | ret <<= 10; | 
| 268 | + | case 'M': | 
| 269 | + | case 'm': | 
| 270 | + | ret <<= 10; | 
| 271 | + | case 'K': | 
| 272 | + | case 'k': | 
| 273 | + | ret <<= 10; | 
| 274 | + | (*retptr)++; | 
| 275 | + | default: | 
| 276 | + | break; | 
| 277 | + | } | 
| 278 | + | return ret; | 
| 279 | + | } | 
| 280 | + |  | 
| 281 |  | } |