33 |
|
the_integrator = NULL; |
34 |
|
setTemp = 0; |
35 |
|
thermalTime = 0.0; |
36 |
+ |
currentTime = 0.0; |
37 |
|
rCut = 0.0; |
38 |
|
ecr = 0.0; |
39 |
|
est = 0.0; |
57 |
|
wrapMeSimInfo( this ); |
58 |
|
} |
59 |
|
|
60 |
+ |
SimInfo::~SimInfo(){ |
61 |
+ |
|
62 |
+ |
map<string, GenericData*>::iterator i; |
63 |
+ |
|
64 |
+ |
for(i = properties.begin(); i != properties.end(); i++) |
65 |
+ |
delete (*i).second; |
66 |
+ |
|
67 |
+ |
|
68 |
+ |
} |
69 |
+ |
|
70 |
|
void SimInfo::setBox(double newBox[3]) { |
71 |
|
|
72 |
|
int i, j; |
538 |
|
|
539 |
|
oldEcr = ecr; |
540 |
|
oldRcut = rCut; |
541 |
+ |
} |
542 |
+ |
|
543 |
+ |
void SimInfo::addProperty(GenericData* prop){ |
544 |
+ |
|
545 |
+ |
map<string, GenericData*>::iterator result; |
546 |
+ |
result = properties.find(prop->getID()); |
547 |
+ |
|
548 |
+ |
//we can't simply use properties[prop->getID()] = prop, |
549 |
+ |
//it will cause memory leak if we already contain a propery which has the same name of prop |
550 |
+ |
|
551 |
+ |
if(result != properties.end()){ |
552 |
+ |
|
553 |
+ |
delete (*result).second; |
554 |
+ |
(*result).second = prop; |
555 |
+ |
|
556 |
+ |
} |
557 |
+ |
else{ |
558 |
+ |
|
559 |
+ |
properties[prop->getID()] = prop; |
560 |
+ |
|
561 |
+ |
} |
562 |
+ |
|
563 |
|
} |
564 |
+ |
|
565 |
+ |
GenericData* SimInfo::getProperty(const string& propName){ |
566 |
+ |
|
567 |
+ |
map<string, GenericData*>::iterator result; |
568 |
+ |
|
569 |
+ |
//string lowerCaseName = (); |
570 |
+ |
|
571 |
+ |
result = properties.find(propName); |
572 |
+ |
|
573 |
+ |
if(result != properties.end()) |
574 |
+ |
return (*result).second; |
575 |
+ |
else |
576 |
+ |
return NULL; |
577 |
+ |
} |
578 |
+ |
|
579 |
+ |
vector<GenericData*> SimInfo::getProperties(){ |
580 |
+ |
|
581 |
+ |
vector<GenericData*> result; |
582 |
+ |
map<string, GenericData*>::iterator i; |
583 |
+ |
|
584 |
+ |
for(i = properties.begin(); i != properties.end(); i++) |
585 |
+ |
result.push_back((*i).second); |
586 |
+ |
|
587 |
+ |
return result; |
588 |
+ |
} |
589 |
+ |
|
590 |
+ |
|