101 |
|
|
102 |
|
//creat visitor list |
103 |
|
CompositeVisitor* compositeVisitor = new CompositeVisitor(); |
104 |
– |
|
105 |
– |
//creat ignore visitor |
106 |
– |
if(args_info.ignore_given ||args_info.water_flag){ |
104 |
|
|
108 |
– |
IgnoreVisitor* ignoreVisitor = new IgnoreVisitor(info); |
109 |
– |
|
110 |
– |
for(int i = 0; i < args_info.ignore_given; i++) |
111 |
– |
ignoreVisitor->addIgnoreType(args_info.ignore_arg[i]); |
112 |
– |
|
113 |
– |
//ignore water |
114 |
– |
if(args_info.water_flag){ |
115 |
– |
ignoreVisitor->addIgnoreType("SSD"); |
116 |
– |
ignoreVisitor->addIgnoreType("SSD1"); |
117 |
– |
ignoreVisitor->addIgnoreType("SSD_E"); |
118 |
– |
ignoreVisitor->addIgnoreType("SSD_RF"); |
119 |
– |
ignoreVisitor->addIgnoreType("TIP3P_RB_0"); |
120 |
– |
ignoreVisitor->addIgnoreType("TIP4P_RB_0"); |
121 |
– |
ignoreVisitor->addIgnoreType("TIP5P_RB_0"); |
122 |
– |
ignoreVisitor->addIgnoreType("SPCE_RB_0"); |
123 |
– |
ignoreVisitor->addIgnoreType("DPD_RB_0"); |
124 |
– |
} |
125 |
– |
|
126 |
– |
compositeVisitor->addVisitor(ignoreVisitor, 1000); |
127 |
– |
} |
128 |
– |
|
105 |
|
//creat RigidBody Visitor |
106 |
|
if(args_info.rigidbody_flag){ |
107 |
|
RBCOMVisitor* rbCOMVisitor = new RBCOMVisitor(info); |
108 |
|
compositeVisitor->addVisitor(rbCOMVisitor, 900); |
109 |
|
} |
110 |
|
|
135 |
– |
//create selection visitor |
136 |
– |
//if (args_info.selection_given){ |
137 |
– |
// SelectionVisitor* selectionVisitor = new SelectionVisitor(info, args_info.selection_arg); |
138 |
– |
// compositeVisitor->addVisitor(selectionVisitor, 850); |
139 |
– |
//} |
140 |
– |
|
141 |
– |
SelectionEvaluator* evaluator = NULL; |
142 |
– |
if (args_info.selection_given) { |
143 |
– |
evaluator = new SelectionEvaluator(info); |
144 |
– |
assert(evaluator); |
145 |
– |
evaluator->loadScriptString( args_info.selection_arg); |
146 |
– |
|
147 |
– |
} |
148 |
– |
|
111 |
|
//creat SSD atom visitor |
112 |
|
SSDAtomVisitor* ssdVisitor = new SSDAtomVisitor(info); |
113 |
|
compositeVisitor->addVisitor(ssdVisitor, 800); |
161 |
|
} |
162 |
|
|
163 |
|
//creat xyzVisitor |
164 |
< |
XYZVisitor* xyzVisitor = new XYZVisitor(info); |
164 |
> |
XYZVisitor* xyzVisitor; |
165 |
> |
if (args_info.selection_given) { |
166 |
> |
xyzVisitor = new XYZVisitor(info, args_info.selection_arg); |
167 |
> |
} else { |
168 |
> |
xyzVisitor = new XYZVisitor(info); |
169 |
> |
} |
170 |
|
compositeVisitor->addVisitor(xyzVisitor, 200); |
171 |
|
|
172 |
|
std::cout << compositeVisitor->toString(); |
189 |
|
Molecule* mol; |
190 |
|
StuntDouble* integrableObject; |
191 |
|
RigidBody* rb; |
192 |
< |
|
226 |
< |
if (evaluator && !evaluator->isDynamic()) { |
227 |
< |
info->getSelectionManager()->setSelectionSet(evaluator->evaluate()); |
228 |
< |
} |
229 |
< |
|
192 |
> |
|
193 |
|
for (int i = 0; i < nframes; i += args_info.frame_arg){ |
194 |
|
dumpReader->readFrame(i); |
195 |
|
|
213 |
|
//update visitor |
214 |
|
compositeVisitor->update(); |
215 |
|
|
216 |
< |
//if dynamic, we need to re-evaluate the selection |
254 |
< |
if (evaluator && evaluator->isDynamic()) { |
255 |
< |
info->getSelectionManager()->setSelectionSet(evaluator->evaluate()); |
256 |
< |
} |
257 |
< |
|
216 |
> |
|
217 |
|
//visit stuntdouble |
218 |
|
for (mol = info->beginMolecule(miter); mol != NULL; mol = info->nextMolecule(miter)) { |
219 |
|
for (integrableObject = mol->beginIntegrableObject(iiter); integrableObject != NULL; |