| 38 |
|
|
| 39 |
|
const string IgnoreVisitor::toString(){ |
| 40 |
|
char buffer[65535]; |
| 41 |
+ |
string result; |
| 42 |
|
set<string>::iterator i; |
| 43 |
|
|
| 44 |
< |
sprintf(buffer,"------------------------------------------------------------------\n"); |
| 45 |
< |
sprintf(buffer,"Visitor name: %s", visitorName.c_str()); |
| 44 |
> |
sprintf(buffer ,"------------------------------------------------------------------\n"); |
| 45 |
> |
result += buffer; |
| 46 |
|
|
| 47 |
+ |
sprintf(buffer ,"Visitor name: %s", visitorName.c_str()); |
| 48 |
+ |
result += buffer; |
| 49 |
+ |
|
| 50 |
|
//print the ignore type list |
| 51 |
< |
sprintf(buffer, "Ignore type list contains below types:\n"); |
| 52 |
< |
for(i = itList.begin(); i != itList.end(); ++i) |
| 49 |
< |
sprintf(buffer,"%s,\t", i->c_str()); |
| 50 |
< |
sprintf(buffer,"\n"); |
| 51 |
> |
sprintf(buffer , "Ignore type list contains below types:\n"); |
| 52 |
> |
result += buffer; |
| 53 |
|
|
| 54 |
< |
sprintf(buffer,"------------------------------------------------------------------\n"); |
| 54 |
> |
for(i = itList.begin(); i != itList.end(); ++i){ |
| 55 |
> |
sprintf(buffer ,"%s,\t", i->c_str()); |
| 56 |
> |
result += buffer; |
| 57 |
|
|
| 58 |
+ |
} |
| 59 |
+ |
sprintf(buffer ,"\n"); |
| 60 |
+ |
result += buffer; |
| 61 |
+ |
|
| 62 |
+ |
sprintf(buffer ,"------------------------------------------------------------------\n"); |
| 63 |
+ |
result += buffer; |
| 64 |
+ |
|
| 65 |
|
return buffer; |
| 66 |
|
} |
| 67 |
|
|
| 172 |
|
|
| 173 |
|
const string ReplicateVisitor::toString(){ |
| 174 |
|
char buffer[65535]; |
| 175 |
+ |
string result; |
| 176 |
|
set<string>::iterator i; |
| 177 |
|
|
| 178 |
< |
sprintf(buffer,"------------------------------------------------------------------\n"); |
| 179 |
< |
sprintf(buffer,"Visitor name: %s", visitorName.c_str()); |
| 178 |
> |
sprintf(buffer ,"------------------------------------------------------------------\n"); |
| 179 |
> |
result += buffer; |
| 180 |
|
|
| 181 |
+ |
sprintf(buffer ,"Visitor name: %s", visitorName.c_str()); |
| 182 |
+ |
result += buffer; |
| 183 |
+ |
|
| 184 |
|
//print the replicate direction |
| 185 |
< |
sprintf(buffer, "repeatX = %d:\n", replicateOpt[0]); |
| 186 |
< |
sprintf(buffer, "repeatY = %d:\n", replicateOpt[1]); |
| 172 |
< |
sprintf(buffer, "repeatZ = %d:\n", replicateOpt[2]); |
| 185 |
> |
sprintf(buffer , "repeatX = %d:\n", replicateOpt[0]); |
| 186 |
> |
result += buffer; |
| 187 |
|
|
| 188 |
+ |
sprintf(buffer , "repeatY = %d:\n", replicateOpt[1]); |
| 189 |
+ |
result += buffer; |
| 190 |
|
|
| 191 |
+ |
sprintf(buffer , "repeatZ = %d:\n", replicateOpt[2]); |
| 192 |
+ |
result += buffer; |
| 193 |
+ |
|
| 194 |
+ |
|
| 195 |
|
sprintf(buffer,"------------------------------------------------------------------\n"); |
| 196 |
+ |
result += buffer; |
| 197 |
|
|
| 198 |
< |
return buffer; |
| 198 |
> |
return result; |
| 199 |
|
} |
| 200 |
|
|
| 201 |
|
//----------------------------------------------------------------------------// |
| 231 |
|
|
| 232 |
|
//if there is not atom data, just skip it |
| 233 |
|
data = sd->getProperty("ATOMDATA"); |
| 234 |
< |
if(data != NULL) |
| 234 |
> |
if(data != NULL){ |
| 235 |
|
atomData = dynamic_cast<AtomData*>(data); |
| 236 |
|
if(atomData == NULL) |
| 237 |
|
return; |
| 238 |
+ |
} |
| 239 |
|
else |
| 240 |
|
return; |
| 241 |
|
|
| 243 |
|
|
| 244 |
|
if(printDipole) |
| 245 |
|
sprintf(buffer, "%s%15.8f%15.8f%15.8f%15.8f%15.8f%15.8f", |
| 246 |
< |
atomInfo->AtomType, |
| 246 |
> |
atomInfo->AtomType.c_str(), |
| 247 |
|
atomInfo->pos[0], |
| 248 |
|
atomInfo->pos[1], |
| 249 |
|
atomInfo->pos[2], |
| 252 |
|
atomInfo->dipole[2]); |
| 253 |
|
else |
| 254 |
|
sprintf(buffer, "%s%15.8f%15.8f%15.8f", |
| 255 |
< |
atomInfo->AtomType, |
| 255 |
> |
atomInfo->AtomType.c_str(), |
| 256 |
|
atomInfo->pos[0], |
| 257 |
|
atomInfo->pos[1], |
| 258 |
|
atomInfo->pos[2]); |
| 308 |
|
|
| 309 |
|
//remove atomdata |
| 310 |
|
data = sd->getProperty("ATOMDATA"); |
| 311 |
< |
if(data != NULL) |
| 311 |
> |
if(data != NULL){ |
| 312 |
|
atomData = dynamic_cast<AtomData*>(data); |
| 313 |
|
if(atomData != NULL) |
| 314 |
|
sd->removeProperty("ATOMDATA"); |
| 315 |
+ |
} |
| 316 |
+ |
|
| 317 |
|
} |
| 318 |
|
|