| 1 | gezelter | 406 | /* | 
| 2 | gezelter | 246 | * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. | 
| 3 |  |  | * | 
| 4 |  |  | * The University of Notre Dame grants you ("Licensee") a | 
| 5 |  |  | * non-exclusive, royalty free, license to use, modify and | 
| 6 |  |  | * redistribute this software in source and binary code form, provided | 
| 7 |  |  | * that the following conditions are met: | 
| 8 |  |  | * | 
| 9 | gezelter | 1390 | * 1. Redistributions of source code must retain the above copyright | 
| 10 | gezelter | 246 | *    notice, this list of conditions and the following disclaimer. | 
| 11 |  |  | * | 
| 12 | gezelter | 1390 | * 2. Redistributions in binary form must reproduce the above copyright | 
| 13 | gezelter | 246 | *    notice, this list of conditions and the following disclaimer in the | 
| 14 |  |  | *    documentation and/or other materials provided with the | 
| 15 |  |  | *    distribution. | 
| 16 |  |  | * | 
| 17 |  |  | * This software is provided "AS IS," without a warranty of any | 
| 18 |  |  | * kind. All express or implied conditions, representations and | 
| 19 |  |  | * warranties, including any implied warranty of merchantability, | 
| 20 |  |  | * fitness for a particular purpose or non-infringement, are hereby | 
| 21 |  |  | * excluded.  The University of Notre Dame and its licensors shall not | 
| 22 |  |  | * be liable for any damages suffered by licensee as a result of | 
| 23 |  |  | * using, modifying or distributing the software or its | 
| 24 |  |  | * derivatives. In no event will the University of Notre Dame or its | 
| 25 |  |  | * licensors be liable for any lost revenue, profit or data, or for | 
| 26 |  |  | * direct, indirect, special, consequential, incidental or punitive | 
| 27 |  |  | * damages, however caused and regardless of the theory of liability, | 
| 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 | gezelter | 1390 | * | 
| 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 | gezelter | 1665 | * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010). | 
| 40 |  |  | * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). | 
| 41 | gezelter | 246 | */ | 
| 42 | tim | 1024 |  | 
| 43 | gezelter | 1767 | #include "config.h" | 
| 44 | tim | 1024 | #include <algorithm> | 
| 45 | gezelter | 1654 | #include <stdlib.h> | 
| 46 | gezelter | 1767 | #include <cctype> | 
| 47 |  |  | #include <cstdlib> | 
| 48 |  |  | #include <string> | 
| 49 | tim | 3 | #include "utils/StringUtils.hpp" | 
| 50 | gezelter | 2 |  | 
| 51 | gezelter | 1767 | #ifdef _MSC_VER | 
| 52 |  |  | #define strcasecmp _stricmp | 
| 53 |  |  | #define strdup _strdup | 
| 54 |  |  | #define strtoull _strtoui64 | 
| 55 |  |  | #endif | 
| 56 |  |  |  | 
| 57 |  |  |  | 
| 58 | gezelter | 1390 | namespace OpenMD { | 
| 59 | gezelter | 406 | std::string UpperCase(const std::string& S) { | 
| 60 |  |  | std::string uc = S; | 
| 61 |  |  | unsigned int n = uc.size(); | 
| 62 |  |  | for (unsigned int j = 0; j < n; j++) { | 
| 63 |  |  | char sj = uc[j]; | 
| 64 |  |  | if (sj >= 'a' && sj <= 'z') uc[j] = (char)(sj - ('a' - 'A')); | 
| 65 |  |  | } | 
| 66 |  |  | return uc; | 
| 67 | gezelter | 2 | } | 
| 68 |  |  |  | 
| 69 | gezelter | 406 | std::string LowerCase(const std::string& S) { | 
| 70 |  |  | std::string lc = S; | 
| 71 |  |  | unsigned int n = lc.size(); | 
| 72 |  |  | for (unsigned int j = 0; j < n; j++) { | 
| 73 |  |  | char sj = lc[j]; | 
| 74 |  |  | if (sj >= 'A' && sj <= 'Z') lc[j] = (char)(sj + ('a' - 'A')); | 
| 75 |  |  | } | 
| 76 |  |  | return lc; | 
| 77 | gezelter | 2 | } | 
| 78 | gezelter | 97 |  | 
| 79 | gezelter | 406 | char* trimSpaces(char *str) { | 
| 80 |  |  | size_t len; | 
| 81 |  |  | char *right, *left; | 
| 82 | chrisfen | 105 |  | 
| 83 | gezelter | 406 | if (strlen(str) == 0) return(str); | 
| 84 | chrisfen | 105 |  | 
| 85 | gezelter | 406 | /* Trim whitespace from left side */ | 
| 86 |  |  | for (left = str; isspace(*left); left++); | 
| 87 | chrisfen | 105 |  | 
| 88 | gezelter | 406 | /* Trim whitespace from right side */ | 
| 89 |  |  | if ((len = strlen(left))) | 
| 90 |  |  | { | 
| 91 |  |  | right = left + (len - 1); | 
| 92 | chrisfen | 105 |  | 
| 93 | gezelter | 406 | while (isspace(*right)) | 
| 94 |  |  | { | 
| 95 |  |  | *right = '\0'; | 
| 96 |  |  | right--; | 
| 97 |  |  | } | 
| 98 |  |  | } | 
| 99 | chrisfen | 105 |  | 
| 100 | gezelter | 406 | /* Only do the str copy if there were spaces to the left */ | 
| 101 |  |  | if (left != str) | 
| 102 |  |  | strcpy(str, left); | 
| 103 | chrisfen | 105 |  | 
| 104 | gezelter | 406 | return (str); | 
| 105 |  |  | } | 
| 106 | chrisfen | 105 |  | 
| 107 | skuang | 1305 | int findBegin(std::istream &theStream, const char* startText ){ | 
| 108 | gezelter | 406 | const int MAXLEN = 1024; | 
| 109 |  |  | char readLine[MAXLEN]; | 
| 110 |  |  | int foundText = 0; | 
| 111 |  |  | int lineNum; | 
| 112 |  |  | char* the_token; | 
| 113 |  |  | char* eof_test; | 
| 114 | gezelter | 97 |  | 
| 115 | gezelter | 406 | // rewind the stream | 
| 116 |  |  | theStream.seekg (0, std::ios::beg); | 
| 117 |  |  | lineNum = 0; | 
| 118 | gezelter | 97 |  | 
| 119 | gezelter | 406 | if (!theStream.eof()) { | 
| 120 |  |  | theStream.getline(readLine, MAXLEN); | 
| 121 |  |  | lineNum++; | 
| 122 |  |  | } else { | 
| 123 |  |  | printf( "Error fast forwarding stream: stream is empty.\n"); | 
| 124 | gezelter | 97 | return -1; | 
| 125 |  |  | } | 
| 126 | gezelter | 406 |  | 
| 127 |  |  | while ( !foundText ) { | 
| 128 | chrisfen | 105 |  | 
| 129 | gezelter | 406 | if (theStream.eof()) { | 
| 130 |  |  | printf("Error fast forwarding stream at line %d: " | 
| 131 |  |  | "stream ended unexpectedly.\n", lineNum); | 
| 132 |  |  | return -1; | 
| 133 | chrisfen | 105 | } | 
| 134 |  |  |  | 
| 135 | gezelter | 406 | the_token = strtok( readLine, " ,;\t" ); | 
| 136 |  |  | if ( the_token != NULL) | 
| 137 |  |  | if (!strcasecmp("begin", the_token)) { | 
| 138 |  |  | the_token = strtok( NULL, " ,;\t" ); | 
| 139 |  |  | if ( the_token != NULL){ | 
| 140 |  |  | foundText = !strcasecmp( startText, the_token ); | 
| 141 |  |  | } | 
| 142 |  |  | } | 
| 143 |  |  |  | 
| 144 |  |  | if (!foundText) { | 
| 145 |  |  | if (!theStream.eof()) { | 
| 146 |  |  | theStream.getline(readLine, MAXLEN); | 
| 147 |  |  | lineNum++; | 
| 148 |  |  | } else { | 
| 149 |  |  | printf( "Error fast forwarding stream at line %d: " | 
| 150 |  |  | "stream ended unexpectedly.\n", lineNum); | 
| 151 |  |  | return -1; | 
| 152 |  |  | } | 
| 153 | gezelter | 97 | } | 
| 154 |  |  | } | 
| 155 | gezelter | 406 | return lineNum; | 
| 156 | gezelter | 97 | } | 
| 157 |  |  |  | 
| 158 | gezelter | 406 | int countTokens(char *line, char *delimiters) { | 
| 159 |  |  | /* PURPOSE: RETURN A COUNT OF THE NUMBER OF TOKENS ON THE LINE. */ | 
| 160 | gezelter | 97 |  | 
| 161 | gezelter | 406 | char *working_line;   /* WORKING COPY OF LINE. */ | 
| 162 |  |  | int ntokens;          /* NUMBER OF TOKENS FOUND IN LINE. */ | 
| 163 |  |  | char *strtok_ptr;     /* POINTER FOR STRTOK. */ | 
| 164 | gezelter | 97 |  | 
| 165 | gezelter | 406 | strtok_ptr= working_line= strdup(line); | 
| 166 | gezelter | 97 |  | 
| 167 | gezelter | 406 | ntokens=0; | 
| 168 |  |  | while (strtok(strtok_ptr,delimiters)!=NULL) | 
| 169 |  |  | { | 
| 170 |  |  | ntokens++; | 
| 171 |  |  | strtok_ptr=NULL; | 
| 172 |  |  | } | 
| 173 | gezelter | 97 |  | 
| 174 | gezelter | 406 | free(working_line); | 
| 175 |  |  | return(ntokens); | 
| 176 |  |  | } | 
| 177 | gezelter | 97 |  | 
| 178 | gezelter | 406 | int isEndLine(char *line) { | 
| 179 |  |  | char *working_line; | 
| 180 |  |  | char *foo; | 
| 181 | gezelter | 97 |  | 
| 182 | gezelter | 406 | working_line = strdup(line); | 
| 183 | gezelter | 97 |  | 
| 184 | gezelter | 406 | foo = strtok(working_line, " ,;\t"); | 
| 185 | gezelter | 97 |  | 
| 186 | gezelter | 406 | if (foo != NULL) { | 
| 187 | gezelter | 107 |  | 
| 188 | gezelter | 406 | if (!strcasecmp(foo, "end")) return 1; | 
| 189 | gezelter | 107 |  | 
| 190 | gezelter | 406 | } | 
| 191 |  |  |  | 
| 192 |  |  | return 0; | 
| 193 | gezelter | 107 | } | 
| 194 | gezelter | 406 |  | 
| 195 | gezelter | 1390 | std::string OpenMD_itoa(int value, unsigned int base) { | 
| 196 | gezelter | 406 | const char digitMap[] = "0123456789abcdef"; | 
| 197 |  |  | std::string buf; | 
| 198 | gezelter | 246 |  | 
| 199 | gezelter | 406 | if (base == 0 || base > 16) { | 
| 200 |  |  | return buf; | 
| 201 |  |  | } | 
| 202 | gezelter | 246 |  | 
| 203 | gezelter | 406 | if (value == 0) { | 
| 204 |  |  | buf = "0"; | 
| 205 |  |  | return buf; | 
| 206 |  |  | } | 
| 207 |  |  |  | 
| 208 |  |  | // Take care negative int: | 
| 209 |  |  |  | 
| 210 |  |  | std::string sign; | 
| 211 |  |  | int _value = value; | 
| 212 |  |  | if (value < 0) { | 
| 213 |  |  | _value = -value; | 
| 214 |  |  | sign = "-"; | 
| 215 |  |  | } | 
| 216 | gezelter | 246 |  | 
| 217 | gezelter | 406 | // Translating number to string with base: | 
| 218 |  |  | for (int i = 30; _value && i ; --i) { | 
| 219 |  |  | buf = digitMap[ _value % base ] + buf; | 
| 220 |  |  | _value /= base; | 
| 221 |  |  | } | 
| 222 |  |  | return sign.append(buf); | 
| 223 |  |  | } | 
| 224 |  |  |  | 
| 225 |  |  |  | 
| 226 |  |  | std::string getPrefix(const std::string& str) { | 
| 227 |  |  | return str.substr(0, str.rfind('.')); | 
| 228 |  |  | } | 
| 229 |  |  |  | 
| 230 |  |  | std::string getSuffix(const std::string& str) { | 
| 231 | gezelter | 246 | return str.substr(0, str.find('.')); | 
| 232 | gezelter | 406 | } | 
| 233 | gezelter | 1629 |  | 
| 234 |  |  | bool isInteger(const std::string& str) { | 
| 235 |  |  |  | 
| 236 | tim | 838 | bool result = false; | 
| 237 | gezelter | 1629 |  | 
| 238 | tim | 838 | std::string::const_iterator i = str.begin(); | 
| 239 |  |  | if (i != str.end() && (*i == '+' || *i == '-' || std::isdigit(*i) )) { | 
| 240 | gezelter | 1629 | ++i; | 
| 241 |  |  | while (i != str.end() && std::isdigit(*i)) | 
| 242 |  |  | ++i; | 
| 243 |  |  | if (i == str.end()) | 
| 244 |  |  | result = true; | 
| 245 | tim | 838 | } | 
| 246 |  |  |  | 
| 247 |  |  | return result; | 
| 248 | gezelter | 1629 | } | 
| 249 | tim | 838 |  | 
| 250 | gezelter | 1629 | bool CaseInsensitiveEquals(const char ch1, const char ch2) { | 
| 251 |  |  | return std::toupper((unsigned char)ch1) == std::toupper((unsigned char)ch2); | 
| 252 |  |  | } | 
| 253 |  |  |  | 
| 254 |  |  | size_t CaseInsensitiveFind(const std::string& str1, const std::string& str2) { | 
| 255 |  |  | std::string::const_iterator pos = std::search(str1.begin(), str1.end(), str2.begin(), str2.end(), CaseInsensitiveEquals); | 
| 256 |  |  | if (pos == str1.end()) | 
| 257 |  |  | return std::string::npos; | 
| 258 |  |  | else | 
| 259 |  |  | return pos - str1.begin(); | 
| 260 |  |  | } | 
| 261 |  |  |  | 
| 262 |  |  | /** | 
| 263 |  |  | *    memparse - parse a string with mem suffixes into a number | 
| 264 |  |  | *    @ptr: Where parse begins | 
| 265 |  |  | *    @retptr: (output) Pointer to next char after parse completes | 
| 266 |  |  | * | 
| 267 |  |  | *    Parses a string into a number.  The number stored at @ptr is | 
| 268 |  |  | *    potentially suffixed with %K (for kilobytes, or 1024 bytes), | 
| 269 |  |  | *    %M (for megabytes, or 1048576 bytes), or %G (for gigabytes, or | 
| 270 |  |  | *    1073741824).  If the number is suffixed with K, M, or G, then | 
| 271 |  |  | *    the return value is the number multiplied by one kilobyte, one | 
| 272 |  |  | *    megabyte, or one gigabyte, respectively. | 
| 273 |  |  | */ | 
| 274 |  |  | unsigned long long memparse (char *ptr,  char **retptr) { | 
| 275 |  |  | unsigned long long ret = strtoull (ptr, retptr, 0); | 
| 276 |  |  |  | 
| 277 |  |  | switch (**retptr) { | 
| 278 |  |  | case 'G': | 
| 279 |  |  | case 'g': | 
| 280 |  |  | ret <<= 10; | 
| 281 |  |  | case 'M': | 
| 282 |  |  | case 'm': | 
| 283 |  |  | ret <<= 10; | 
| 284 |  |  | case 'K': | 
| 285 |  |  | case 'k': | 
| 286 |  |  | ret <<= 10; | 
| 287 |  |  | (*retptr)++; | 
| 288 |  |  | default: | 
| 289 |  |  | break; | 
| 290 |  |  | } | 
| 291 |  |  | return ret; | 
| 292 |  |  | } | 
| 293 |  |  |  | 
| 294 | tim | 838 | } |