108 |
|
error = fclose(inFile_); |
109 |
|
|
110 |
|
if (error) { |
111 |
< |
sprintf(painCave.errMsg, "Error closing %s\n", filename_.c_str()); |
111 |
> |
sprintf(painCave.errMsg, "DumpReader Error: Error closing %s\n", filename_.c_str()); |
112 |
|
painCave.isFatal = 1; |
113 |
|
simError(); |
114 |
|
} |
155 |
|
|
156 |
|
if (feof(inFile_)) { |
157 |
|
sprintf(painCave.errMsg, |
158 |
< |
"File \"%s\" ended unexpectedly at line %d\n", |
158 |
> |
"DumpReader Error: File \"%s\" ended unexpectedly at line %d\n", |
159 |
|
filename_.c_str(), |
160 |
|
lineNum); |
161 |
|
painCave.isFatal = 1; |
172 |
|
|
173 |
|
if (feof(inFile_)) { |
174 |
|
sprintf(painCave.errMsg, |
175 |
< |
"File \"%s\" ended unexpectedly at line %d\n", |
175 |
> |
"DumpReader Error: File \"%s\" ended unexpectedly at line %d\n", |
176 |
|
filename_.c_str(), |
177 |
|
lineNum); |
178 |
|
painCave.isFatal = 1; |
185 |
|
|
186 |
|
if (feof(inFile_)) { |
187 |
|
sprintf(painCave.errMsg, |
188 |
< |
"File \"%s\" ended unexpectedly at line %d," |
188 |
> |
"DumpReader Error: File \"%s\" ended unexpectedly at line %d," |
189 |
|
" with atom %d\n", filename_.c_str(), |
190 |
|
lineNum, |
191 |
|
j); |
265 |
|
eof_test = fgets(read_buffer, sizeof(read_buffer), inFile_); |
266 |
|
|
267 |
|
if (eof_test == NULL) { |
268 |
< |
sprintf(painCave.errMsg, "error in reading commment in %s\n", |
268 |
> |
sprintf(painCave.errMsg, "DumpReader Error: error in reading commment in %s\n", |
269 |
|
filename_.c_str()); |
270 |
|
painCave.isFatal = 1; |
271 |
|
simError(); |
284 |
|
|
285 |
|
if (eof_test == NULL) { |
286 |
|
sprintf(painCave.errMsg, |
287 |
< |
"error in reading file %s\n" |
287 |
> |
"DumpReader Error: error in reading file %s\n" |
288 |
|
"natoms = %d; index = %d\n" |
289 |
|
"error reading the line from the file.\n", |
290 |
|
filename_.c_str(), |
324 |
|
eof_test = fgets(read_buffer, sizeof(read_buffer), inFile_); |
325 |
|
|
326 |
|
if (eof_test == NULL) { |
327 |
< |
sprintf(painCave.errMsg, "Error reading 1st line of %s \n ", |
327 |
> |
sprintf(painCave.errMsg, "DumpReader Error: Error reading 1st line of %s \n ", |
328 |
|
filename_.c_str()); |
329 |
|
painCave.isFatal = 1; |
330 |
|
simError(); |
353 |
|
eof_test = fgets(read_buffer, sizeof(read_buffer), inFile_); |
354 |
|
|
355 |
|
if (eof_test == NULL) { |
356 |
< |
sprintf(painCave.errMsg, "error in reading commment in %s\n", |
356 |
> |
sprintf(painCave.errMsg, "DumpReader Error: error in reading commment in %s\n", |
357 |
|
filename_.c_str()); |
358 |
|
painCave.isFatal = 1; |
359 |
|
simError(); |
376 |
|
mol = info_->getMoleculeByGlobalIndex(i); |
377 |
|
|
378 |
|
if (mol == NULL) { |
379 |
< |
sprintf(painCave.errMsg, "Molecule not found on node %d!", worldRank); |
379 |
> |
sprintf(painCave.errMsg, "DumpReader Error: Molecule not found on node %d!", worldRank); |
380 |
|
painCave.isFatal = 1; |
381 |
|
simError(); |
382 |
|
} |
388 |
|
|
389 |
|
if (eof_test == NULL) { |
390 |
|
sprintf(painCave.errMsg, |
391 |
< |
"error in reading file %s\n" |
391 |
> |
"DumpReader Error: error in reading file %s\n" |
392 |
|
"natoms = %d; index = %d\n" |
393 |
|
"error reading the line from the file.\n", |
394 |
|
filename_.c_str(), |
412 |
|
|
413 |
|
if (eof_test == NULL) { |
414 |
|
sprintf(painCave.errMsg, |
415 |
< |
"error in reading file %s\n" |
415 |
> |
"DumpReader Error: error in reading file %s\n" |
416 |
|
"natoms = %d; index = %d\n" |
417 |
|
"error reading the line from the file.\n", |
418 |
|
filename_.c_str(), |
443 |
|
|
444 |
|
mol = info_->getMoleculeByGlobalIndex(i); |
445 |
|
if (mol == NULL) { |
446 |
< |
sprintf(painCave.errMsg, "Molecule not found on node %d!", worldRank); |
446 |
> |
sprintf(painCave.errMsg, "DumpReader Error: Molecule not found on node %d!", worldRank); |
447 |
|
painCave.isFatal = 1; |
448 |
|
simError(); |
449 |
|
} |
485 |
|
|
486 |
|
if (nTokens < 14) { |
487 |
|
sprintf(painCave.errMsg, |
488 |
< |
"Not enough Tokens.\n"); |
488 |
> |
"DumpReader Error: Not enough Tokens.\n"); |
489 |
|
painCave.isFatal = 1; |
490 |
|
simError(); |
491 |
|
} |
493 |
|
std::string name = tokenizer.nextToken(); |
494 |
|
|
495 |
|
if (name != integrableObject->getType()) { |
496 |
< |
|
496 |
> |
|
497 |
> |
sprintf(painCave.errMsg, |
498 |
> |
"DumpReader Error: Atom type [%s] in %s does not match Atom Type [%s] in .md file.\n", |
499 |
> |
name.c_str(), filename_.c_str(), integrableObject->getType().c_str()); |
500 |
> |
painCave.isFatal = 1; |
501 |
> |
simError(); |
502 |
|
} |
503 |
|
|
504 |
|
pos[0] = tokenizer.nextTokenAsDouble(); |
522 |
|
if (qlen < oopse::epsilon) { //check quaternion is not equal to 0 |
523 |
|
|
524 |
|
sprintf(painCave.errMsg, |
525 |
< |
"initial quaternion error (q0^2 + q1^2 + q2^2 + q3^2 ~ 0).\n"); |
525 |
> |
"DumpReader Error: initial quaternion error (q0^2 + q1^2 + q2^2 + q3^2 ~ 0).\n"); |
526 |
|
painCave.isFatal = 1; |
527 |
|
simError(); |
528 |
|
|
556 |
|
//comment line should at least contain 10 tokens: current time(1 token) and h-matrix(9 tokens) |
557 |
|
if (nTokens < 10) { |
558 |
|
sprintf(painCave.errMsg, |
559 |
< |
"Not enough tokens in comment line: %s", line); |
559 |
> |
"DumpReader Error: Not enough tokens in comment line: %s", line); |
560 |
|
painCave.isFatal = 1; |
561 |
|
simError(); |
562 |
|
} |