| 45 |
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#include <string> |
| 46 |
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|
| 47 |
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#include "io/Globals.hpp" |
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+ |
#include "io/ParamConstraint.hpp" |
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+ |
#include "utils/MemoryUtils.hpp" |
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#include "utils/simError.h" |
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|
| 50 |
– |
#include "io/ParamConstraint.hpp" |
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– |
|
| 52 |
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namespace oopse { |
| 53 |
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Globals::Globals() { |
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DefineParameter(ForceField, "forceField") |
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} |
| 122 |
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|
| 123 |
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Globals::~Globals() { |
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< |
|
| 125 |
< |
|
| 124 |
> |
MemoryUtils::deletePointers(components_); |
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> |
MemoryUtils::deletePointers(zconstraints_); |
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} |
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|
| 128 |
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void Globals::validate() { |
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| 182 |
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for(std::vector<Component*>::iterator i = components_.begin(); i != components_.end(); ++i) { |
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if (!(*i)->findMoleculeStamp(moleculeStamps_)) { |
| 184 |
< |
std::cout << "Globals Error: can not find molecule stamp for component" << std::endl; |
| 184 |
> |
std::ostringstream oss; |
| 185 |
> |
oss << "Globals Error: can not find molecule stamp for component " << (*i)->getType() << std::endl; |
| 186 |
> |
throw OOPSEException(oss.str()); |
| 187 |
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} |
| 188 |
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} |
| 189 |
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} |
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moleculeStamps_.insert(std::map<std::string, MoleculeStamp*>::value_type(molStampName, molStamp)); |
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ret = true; |
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} else { |
| 210 |
< |
std::cout << "Globals Error: Molecule Stamp " << molStamp->getName() << "appears multiple times\n"; |
| 210 |
> |
std::ostringstream oss; |
| 211 |
> |
oss << "Globals Error: Molecule Stamp " << molStamp->getName() << "appears multiple times\n"; |
| 212 |
> |
throw OOPSEException(oss.str()); |
| 213 |
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} |
| 214 |
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return ret; |
| 215 |
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} |
