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root/OpenMD/trunk/src/mdParser/MDTreeParser.g
Revision: 2026
Committed: Wed Oct 22 12:23:59 2014 UTC (10 years, 9 months ago) by gezelter
File size: 12587 byte(s)
Log Message:
Starting to add support for UniformGradient. 
Changed Vector3d input type to a more general std::vector<RealType> input.  This change alters RNEMD and UniformField inputs.

File Contents

# User Rev Content
1 tim 770 header
2     {
3     #include <stack>
4     #include "io/Globals.hpp"
5     #include "utils/StringUtils.hpp"
6     using namespace std;
7 gezelter 1390 using namespace OpenMD;
8 tim 770 }
9     options
10     {
11     language = "Cpp";
12     }
13    
14     class MDTreeParser extends TreeParser;
15    
16     options
17     {
18 gezelter 1277 k = 1;
19 tim 770 importVocab = MD;
20     }
21     {
22     public:
23     Globals* walkTree(ANTLR_USE_NAMESPACE(antlr)RefAST tree)
24     {
25     currConf = new Globals;
26     blockStack.push(currConf);
27     mdfile(tree);
28     return currConf;
29     }
30     private:
31     Globals* currConf;
32     stack<DataHolder*> blockStack;
33     }
34     mdfile : (statement)* {blockStack.top()->validate(); blockStack.pop();}
35     ;
36    
37     statement : assignment
38 gezelter 1782 | componentblock
39     | moleculeblock
40     | zconstraintblock
41     | restraintblock
42     | flucqblock
43     | rnemdblock
44     | minimizerblock
45     ;
46 tim 770
47     assignment : #(ASSIGNEQUAL id:ID constant[#id]) //{blockStack.top()->assign(#ID->getText(),);}
48     ;
49    
50 tim 814 constant [ANTLR_USE_NAMESPACE(antlr)RefAST id]
51     {
52 gezelter 1782 int ival;
53     RealType dval, x, y, z;
54 gezelter 2026 std::vector<RealType> dvec;
55 tim 814 }
56 gezelter 1782 : ival=intConst {blockStack.top()->assign(id->getText(), ival);}
57     | dval=floatConst {blockStack.top()->assign(id->getText(), dval);}
58     | str1:ID {blockStack.top()->assign(id->getText(), str1->getText());}
59     | str2:StringLiteral {std::string s = str2->getText();
60     s = s.substr(1, s.length()-2);
61     blockStack.top()->assign(id->getText(),s);
62     }
63 gezelter 2026 | #(LPAREN dvec=doubleNumberTuple RPAREN)
64     {
65     blockStack.top()->assign(id->getText(), dvec);
66     }
67 gezelter 1782 ;
68 tim 770
69    
70     componentblock : #(COMPONENT {Component* currComponet = new Component(); blockStack.push(currComponet);}
71     (assignment)*
72     ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addComponent(currComponet);}
73     ;
74    
75     zconstraintblock : #(ZCONSTRAINT {ZConsStamp* currZConsStamp = new ZConsStamp(); blockStack.push(currZConsStamp);}
76     (assignment)*
77     ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addZConsStamp(currZConsStamp);}
78     ;
79 cli2 1360
80     restraintblock : #(RESTRAINT {RestraintStamp* currRestraintStamp = new RestraintStamp(); blockStack.push(currRestraintStamp);}
81     (assignment)*
82     ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addRestraintStamp(currRestraintStamp);}
83     ;
84 tim 770
85 gezelter 1782 flucqblock : #(FLUCQ {FluctuatingChargeParameters* flucQpars = new FluctuatingChargeParameters(); blockStack.push(flucQpars);}
86     (assignment)*
87     ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addFluctuatingChargeParameters(flucQpars);}
88     ;
89    
90     rnemdblock : #(RNEMD {RNEMDParameters* rnemdPars = new RNEMDParameters(); blockStack.push(rnemdPars);}
91     (assignment)*
92     ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addRNEMDParameters(rnemdPars);}
93     ;
94    
95     minimizerblock : #(MINIMIZER {MinimizerParameters* minimizerPars = new MinimizerParameters(); blockStack.push(minimizerPars);}
96     (assignment)*
97     ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addMinimizerParameters(minimizerPars);}
98     ;
99    
100    
101 tim 770 moleculeblock : #(MOLECULE {MoleculeStamp* currMoleculeStamp = new MoleculeStamp(); blockStack.push(currMoleculeStamp);}
102     (moleculestatement)*
103     ENDBLOCK ) {blockStack.top()->validate(); blockStack.pop(); currConf->addMoleculeStamp(currMoleculeStamp);}
104     ;
105    
106     moleculestatement : assignment
107     | atomblock
108     | bondblock
109     | bendblock
110     | torsionblock
111 cli2 1275 | inversionblock
112 tim 770 | rigidbodyblock
113     | cutoffgroupblock
114     | fragmentblock
115 gezelter 1979 | constraintblock
116 tim 770 ;
117    
118     atomblock
119     {
120     int index;
121     }
122     : #(ATOM index=intConst {AtomStamp* currAtomStamp = new AtomStamp(index); blockStack.push(currAtomStamp);}
123     (atomstatement)*
124     ENDBLOCK ) {
125     blockStack.top()->validate();
126     blockStack.pop();
127     MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
128     currMoleculeStamp->addAtomStamp(currAtomStamp);
129     }
130     ;
131    
132     atomstatement
133     {
134 tim 963 vector<RealType> dvec;
135 tim 770 AtomStamp* currAtomStamp = static_cast<AtomStamp*>(blockStack.top());
136    
137     }
138     : assignment
139 tim 814 | #(POSITION dvec=doubleNumberTuple) {currAtomStamp->setPosition(dvec);}
140     | #(ORIENTATION dvec=doubleNumberTuple) {currAtomStamp->setOrientation(dvec);}
141 tim 770 ;
142    
143    
144     bondblock : #(BOND {BondStamp* currBondStamp = new BondStamp(); blockStack.push(currBondStamp);}
145     (bondstatement)*
146     ENDBLOCK ) {
147     blockStack.pop();
148     MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
149     currMoleculeStamp->addBondStamp(currBondStamp);
150     }
151     ;
152    
153     bondstatement
154     {
155     vector<int> ivec;
156     BondStamp* currBondStamp = static_cast<BondStamp*>(blockStack.top());
157     }
158     : assignment
159     | #(MEMBERS ivec=inttuple) {currBondStamp->setMembers(ivec);}
160     ;
161    
162     bendblock : #(BEND {BendStamp* currBendStamp = new BendStamp(); blockStack.push(currBendStamp);}
163     (bendstatement)*
164     ENDBLOCK) {
165     blockStack.top()->validate();
166     blockStack.pop();
167     MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
168     currMoleculeStamp->addBendStamp(currBendStamp);
169     }
170     ;
171    
172     bendstatement
173     {
174     vector<int> ivec;
175     BendStamp* currBendStamp = static_cast<BendStamp*>(blockStack.top());
176     }
177     : assignment
178     | #(MEMBERS ivec=inttuple) {currBendStamp->setMembers(ivec);}
179     ;
180    
181     torsionblock : #(TORSION {TorsionStamp* currTorsionStamp = new TorsionStamp(); blockStack.push(currTorsionStamp);}
182     (torsionstatement)*
183     ENDBLOCK ) {
184     blockStack.top()->validate();
185     blockStack.pop();
186     MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
187     currMoleculeStamp->addTorsionStamp(currTorsionStamp);
188     }
189     ;
190    
191     torsionstatement
192     {
193     vector<int> ivec;
194     TorsionStamp* currTorsionStamp = static_cast<TorsionStamp*>(blockStack.top());
195     }
196     : assignment
197     | #(MEMBERS ivec=inttuple) {currTorsionStamp->setMembers(ivec);}
198     ;
199    
200 cli2 1275 inversionblock : #(INVERSION {InversionStamp* currInversionStamp = new InversionStamp(); blockStack.push(currInversionStamp);}
201     (inversionstatement)*
202     ENDBLOCK ) {
203     blockStack.top()->validate();
204     blockStack.pop();
205     MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
206     currMoleculeStamp->addInversionStamp(currInversionStamp);
207     }
208     ;
209    
210     inversionstatement
211     {
212     int icent;
213 gezelter 1902 vector<int> ivec;
214 cli2 1275 InversionStamp* currInversionStamp = static_cast<InversionStamp*>(blockStack.top());
215     }
216     : assignment
217     | #(CENTER icent=intConst) {currInversionStamp->setCenter(icent);}
218 gezelter 1902 | #(SATELLITES ivec=inttuple) {currInversionStamp->setSatellites(ivec);}
219 cli2 1275 ;
220    
221 tim 770 rigidbodyblock
222     {
223     int index;
224     }
225     : #(RIGIDBODY index=intConst {RigidBodyStamp* currRigidBodyStamp = new RigidBodyStamp(index); blockStack.push(currRigidBodyStamp);}
226     (rigidbodystatement)*
227     ENDBLOCK ) {
228     blockStack.top()->validate();
229     blockStack.pop();
230     MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
231     currMoleculeStamp->addRigidBodyStamp(currRigidBodyStamp);
232     }
233     ;
234    
235     rigidbodystatement
236     {
237     vector<int> ivec;
238     RigidBodyStamp* currRigidBodyStamp = static_cast<RigidBodyStamp*>(blockStack.top());
239     }
240     : assignment
241     | #(MEMBERS ivec=inttuple) {currRigidBodyStamp->setMembers(ivec);}
242     ;
243    
244     cutoffgroupblock : #(CUTOFFGROUP {CutoffGroupStamp* currCutoffGroupStamp = new CutoffGroupStamp(); blockStack.push(currCutoffGroupStamp);}
245     (cutoffgroupstatement)*
246     ENDBLOCK ) {
247     blockStack.top()->validate();
248     blockStack.pop();
249     MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
250     currMoleculeStamp->addCutoffGroupStamp(currCutoffGroupStamp);
251     }
252     ;
253    
254     cutoffgroupstatement
255     {
256     vector<int> ivec;
257     CutoffGroupStamp* currCutoffGroupStamp = static_cast<CutoffGroupStamp*>(blockStack.top());
258     }
259     : assignment
260     | #(MEMBERS ivec=inttuple) {currCutoffGroupStamp->setMembers(ivec);}
261     ;
262    
263     fragmentblock {int ival;}
264     : #(FRAGMENT ival=intConst {FragmentStamp* currFragmentStamp = new FragmentStamp(ival); blockStack.push(currFragmentStamp);}
265     (fragmentstatement)*
266     ENDBLOCK) {
267     blockStack.top()->validate();
268     blockStack.pop();
269     MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
270     currMoleculeStamp->addFragmentStamp(currFragmentStamp);
271     }
272     ;
273    
274     fragmentstatement : assignment
275 gezelter 1782 ;
276 tim 770
277 gezelter 1979 constraintblock : #(CONSTRAINT {ConstraintStamp* currConstraintStamp = new ConstraintStamp(); blockStack.push(currConstraintStamp);}
278     (constraintstatement)*
279     ENDBLOCK ) {
280     blockStack.pop();
281     MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
282     currMoleculeStamp->addConstraintStamp(currConstraintStamp);
283     }
284     ;
285 tim 770
286 gezelter 1979 constraintstatement
287     {
288     vector<int> ivec;
289     ConstraintStamp* currConstraintStamp = static_cast<ConstraintStamp*>(blockStack.top());
290     }
291     : assignment
292     | #(MEMBERS ivec=inttuple) {currConstraintStamp->setMembers(ivec);}
293     ;
294    
295 tim 770
296 gezelter 1782 doubleNumberTuple returns [vector<RealType> dvec]
297 tim 770 {
298 gezelter 1782 RealType dval;
299     }
300     : (dval=doubleNumber {dvec.push_back(dval);})+
301     ;
302    
303    
304     inttuple returns [vector<int> ivec]
305 tim 770 {
306 gezelter 1782 int ival;
307 tim 770 }
308 gezelter 1782 : (ival=intConst {ivec.push_back(ival);})+
309     ;
310 tim 770
311     protected
312     intConst returns [int ival]
313 gezelter 1782 : i1:NUM_INT {ival = lexi_cast<int>(i1->getText());}
314     | i2:NUM_LONG {ival = lexi_cast<int>(i2->getText());}
315     ;
316 tim 770
317     protected
318 gezelter 1782 doubleNumber returns [RealType dval]
319     : ic:intConst {dval = lexi_cast<RealType>(ic->getText());}
320     | fc:floatConst {dval = lexi_cast<RealType>(fc->getText());}
321     ;
322 tim 770
323     protected
324 tim 963 floatConst returns [RealType dval]
325 gezelter 1782 : d1:NUM_FLOAT {dval = lexi_cast<RealType>(d1->getText());}
326     | d2:NUM_DOUBLE {dval = lexi_cast<RealType>(d2->getText());}
327     ;
328    

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