49 |
|
|
50 |
|
#include "integrators/VelocityVerletIntegrator.hpp" |
51 |
|
#include "integrators/DLM.hpp" |
52 |
+ |
#include "utils/StringUtils.hpp" |
53 |
|
|
54 |
|
namespace oopse { |
55 |
|
VelocityVerletIntegrator::VelocityVerletIntegrator(SimInfo *info) : Integrator(info), rotAlgo(NULL) { |
87 |
|
} |
88 |
|
|
89 |
|
dumpWriter = createDumpWriter(); |
90 |
+ |
eorWriter = createEorWriter(); |
91 |
|
statWriter = createStatWriter(); |
92 |
|
|
93 |
|
dumpWriter->writeDump(); |
94 |
< |
|
94 |
> |
eorWriter->writeDump(); |
95 |
> |
|
96 |
|
//save statistics, before writeStat, we must save statistics |
97 |
|
thermo.saveStat(); |
98 |
|
saveConservedQuantity(); |
153 |
|
|
154 |
|
if (currentSnapshot_->getTime() >= currSample) { |
155 |
|
dumpWriter->writeDump(); |
156 |
+ |
eorWriter->writeDump(); |
157 |
|
currSample += sampleTime; |
158 |
|
} |
159 |
|
|
175 |
|
void VelocityVerletIntegrator::finalize() { |
176 |
|
|
177 |
|
dumpWriter->writeDump(); |
178 |
+ |
eorWriter->writeDump(); |
179 |
|
|
180 |
|
delete dumpWriter; |
181 |
+ |
delete eorWriter; |
182 |
|
delete statWriter; |
183 |
|
|
184 |
|
dumpWriter = NULL; |
185 |
+ |
eorWriter = NULL; |
186 |
|
statWriter = NULL; |
187 |
|
|
188 |
|
} |
204 |
|
return new DumpWriter(info_, info_->getDumpFileName()); |
205 |
|
} |
206 |
|
|
207 |
+ |
DumpWriter* VelocityVerletIntegrator::createEorWriter() { |
208 |
+ |
return new DumpWriter(info_, getPrefix(info_->getDumpFileName()) + ".eor"); |
209 |
+ |
} |
210 |
+ |
|
211 |
|
StatWriter* VelocityVerletIntegrator::createStatWriter() { |
212 |
|
return new StatWriter(info_->getStatFileName()); |
213 |
|
} |