| 50 |
|
#include "io/DumpReader.hpp" |
| 51 |
|
#include "utils/simError.h" |
| 52 |
|
#include "visitors/AtomVisitor.hpp" |
| 53 |
+ |
#include "visitors/ReplacementVisitor.hpp" |
| 54 |
|
#include "visitors/CompositeVisitor.hpp" |
| 55 |
|
#include "visitors/RigidBodyVisitor.hpp" |
| 56 |
|
#include "visitors/OtherVisitor.hpp" |
| 95 |
|
SimCreator creator; |
| 96 |
|
SimInfo* info = creator.createSim(dumpFileName, false); |
| 97 |
|
|
| 97 |
– |
|
| 98 |
|
//create visitor list |
| 99 |
|
CompositeVisitor* compositeVisitor = new CompositeVisitor(); |
| 100 |
< |
|
| 100 |
> |
|
| 101 |
|
//create RigidBody Visitor |
| 102 |
|
if(args_info.rigidbody_flag){ |
| 103 |
|
RBCOMVisitor* rbCOMVisitor = new RBCOMVisitor(info); |
| 108 |
|
SSDAtomVisitor* ssdVisitor = new SSDAtomVisitor(info); |
| 109 |
|
compositeVisitor->addVisitor(ssdVisitor, 800); |
| 110 |
|
|
| 111 |
– |
LinearAtomVisitor* linearVisitor = new LinearAtomVisitor(info); |
| 112 |
– |
compositeVisitor->addVisitor(linearVisitor, 750); |
| 113 |
– |
if (args_info.gb_given) { |
| 114 |
– |
linearVisitor->addGayBerneAtomType(args_info.gb_arg); |
| 115 |
– |
} |
| 116 |
– |
|
| 117 |
– |
GBLipidAtomVisitor* gbLipidVisitor = new GBLipidAtomVisitor(info); |
| 118 |
– |
compositeVisitor->addVisitor(gbLipidVisitor, 740); |
| 119 |
– |
|
| 120 |
– |
Ring5gbAtomVisitor* ring5Visitor = new Ring5gbAtomVisitor(info); |
| 121 |
– |
compositeVisitor->addVisitor(ring5Visitor, 730); |
| 122 |
– |
|
| 123 |
– |
HeadAtomVisitor* headVisitor = new HeadAtomVisitor(info); |
| 124 |
– |
compositeVisitor->addVisitor(headVisitor, 720); |
| 125 |
– |
|
| 111 |
|
//create default atom visitor |
| 112 |
|
DefaultAtomVisitor* defaultAtomVisitor = new DefaultAtomVisitor(info); |
| 113 |
|
compositeVisitor->addVisitor(defaultAtomVisitor, 700); |
| 114 |
|
|
| 115 |
|
// if we gave the -w option, we want to skip the waters: |
| 131 |
– |
std::cerr << "-w flag was set to:" << args_info.water_given << "\n"; |
| 116 |
|
if (!args_info.water_given) { |
| 117 |
|
//create waterType visitor |
| 118 |
|
if(args_info.watertype_flag){ |
| 119 |
|
WaterTypeVisitor* waterTypeVisitor = new WaterTypeVisitor; |
| 120 |
|
compositeVisitor->addVisitor(waterTypeVisitor, 600); |
| 121 |
|
} |
| 122 |
< |
} |
| 123 |
< |
|
| 122 |
> |
} |
| 123 |
> |
|
| 124 |
|
if (args_info.basetype_flag) { |
| 125 |
< |
AtomNameVisitor* atomNameVisitor = new AtomNameVisitor(info); |
| 126 |
< |
compositeVisitor->addVisitor(atomNameVisitor, 550); |
| 127 |
< |
|
| 125 |
> |
AtomNameVisitor* atomNameVisitor = new AtomNameVisitor(info); |
| 126 |
> |
compositeVisitor->addVisitor(atomNameVisitor, 550); |
| 127 |
> |
std::cout << compositeVisitor->toString(); |
| 128 |
|
} |
| 129 |
|
|
| 130 |
|
//create ZconsVisitor |
| 176 |
|
xyzVisitor->setPosOnly(posOnly); |
| 177 |
|
} |
| 178 |
|
|
| 179 |
< |
compositeVisitor->addVisitor(xyzVisitor, 200); |
| 179 |
> |
compositeVisitor->addVisitor(xyzVisitor, 200); |
| 180 |
|
|
| 197 |
– |
std::cout << compositeVisitor->toString(); |
| 198 |
– |
|
| 181 |
|
//create prepareVisitor |
| 182 |
|
PrepareVisitor* prepareVisitor = new PrepareVisitor(); |
| 183 |
|
|