src/mdParser/MDTreeParser.g

header
{
#include <stack>
#include "io/Globals.hpp"
#include "utils/StringUtils.hpp"
using namespace std;
using namespace OpenMD;
}
options
  {
  language = "Cpp";
  }
                     
class MDTreeParser extends TreeParser;

options
{
        k = 1;
        importVocab = MD;
}
{
  public:
    Globals* walkTree(ANTLR_USE_NAMESPACE(antlr)RefAST tree)
    {
      currConf = new Globals;
      blockStack.push(currConf);
      mdfile(tree);
      return currConf;
    }
  private:
    Globals* currConf;
    stack<DataHolder*> blockStack;    
}
mdfile  : (statement)* {blockStack.top()->validate(); blockStack.pop();}
        ;

statement : assignment
    | componentblock
    | moleculeblock
    | zconstraintblock
    | restraintblock
    | flucqblock
    | rnemdblock
    | minimizerblock
    ;

assignment  : #(ASSIGNEQUAL id:ID constant[#id]) //{blockStack.top()->assign(#ID->getText(),);}
            ;
            
constant [ANTLR_USE_NAMESPACE(antlr)RefAST id]
{
  int ival;
  RealType dval;
}    
            : ival=intConst {blockStack.top()->assign(id->getText(), ival);}
            | dval=floatConst {blockStack.top()->assign(id->getText(), dval);}
            | str1:ID {blockStack.top()->assign(id->getText(), str1->getText());}
            | str2:StringLiteral { std::string s =  str2->getText();
                                   s = s.substr(1, s.length()-2);
                                   blockStack.top()->assign(id->getText(),s);
                                 }
            ;
            

componentblock  : #(COMPONENT  {Component* currComponet = new Component(); blockStack.push(currComponet);}
                      (assignment)* 
                       ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addComponent(currComponet);}
                ;
    
zconstraintblock  : #(ZCONSTRAINT {ZConsStamp* currZConsStamp = new ZConsStamp(); blockStack.push(currZConsStamp);}
                        (assignment)* 
                         ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addZConsStamp(currZConsStamp);}
                  ;

restraintblock  : #(RESTRAINT {RestraintStamp* currRestraintStamp = new RestraintStamp(); blockStack.push(currRestraintStamp);}
                        (assignment)* 
                         ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addRestraintStamp(currRestraintStamp);}
                  ;
  
flucqblock  : #(FLUCQ  {FluctuatingChargeParameters* flucQpars = new FluctuatingChargeParameters(); blockStack.push(flucQpars);}
                      (assignment)* 
                       ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addFluctuatingChargeParameters(flucQpars);}
                ;

rnemdblock  : #(RNEMD  {RNEMDParameters* rnemdPars = new RNEMDParameters(); blockStack.push(rnemdPars);}
                      (assignment)* 
                       ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addRNEMDParameters(rnemdPars);}
                ;

minimizerblock  : #(MINIMIZER  {MinimizerParameters* minimizerPars = new MinimizerParameters(); blockStack.push(minimizerPars);}
                      (assignment)* 
                       ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addMinimizerParameters(minimizerPars);}
                ;


moleculeblock : #(MOLECULE {MoleculeStamp* currMoleculeStamp = new MoleculeStamp(); blockStack.push(currMoleculeStamp);}
                    (moleculestatement)* 
                     ENDBLOCK ) {blockStack.top()->validate(); blockStack.pop(); currConf->addMoleculeStamp(currMoleculeStamp);}
              ;

moleculestatement : assignment
                  | atomblock
                  | bondblock
                  | bendblock
                  | torsionblock
                  | inversionblock
                  | rigidbodyblock
                  | cutoffgroupblock
                  | fragmentblock
                  ;

atomblock 
{
  int index;
}
          : #(ATOM index=intConst {AtomStamp* currAtomStamp = new AtomStamp(index); blockStack.push(currAtomStamp);} 
                  (atomstatement)* 
                  ENDBLOCK ) {
                                blockStack.top()->validate();
                                blockStack.pop(); 
                                MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
                                currMoleculeStamp->addAtomStamp(currAtomStamp); 
                             }
          ;

atomstatement 
{
vector<RealType> dvec;
AtomStamp* currAtomStamp =  static_cast<AtomStamp*>(blockStack.top());

}
              : assignment
              | #(POSITION dvec=doubleNumberTuple) {currAtomStamp->setPosition(dvec);}
              | #(ORIENTATION dvec=doubleNumberTuple) {currAtomStamp->setOrientation(dvec);}
              ;

                      
bondblock : #(BOND {BondStamp* currBondStamp = new BondStamp(); blockStack.push(currBondStamp);}
                (bondstatement)* 
                 ENDBLOCK )  {
                                blockStack.pop(); 
                                MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
                                currMoleculeStamp->addBondStamp(currBondStamp); 
                             }
          ;

bondstatement 
{
  vector<int> ivec;
  BondStamp* currBondStamp = static_cast<BondStamp*>(blockStack.top());
}
              : assignment
              | #(MEMBERS ivec=inttuple) {currBondStamp->setMembers(ivec);}
              ;

bendblock : #(BEND {BendStamp* currBendStamp = new BendStamp(); blockStack.push(currBendStamp);}
                  (bendstatement)* 
                   ENDBLOCK)  {
                                blockStack.top()->validate();
                                blockStack.pop(); 
                                MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
                                currMoleculeStamp->addBendStamp(currBendStamp); 
                             }
          ;

bendstatement 
{
  vector<int> ivec;
  BendStamp* currBendStamp = static_cast<BendStamp*>(blockStack.top());
}
              : assignment
              | #(MEMBERS ivec=inttuple) {currBendStamp->setMembers(ivec);}
              ;

torsionblock  : #(TORSION {TorsionStamp* currTorsionStamp = new TorsionStamp(); blockStack.push(currTorsionStamp);}
                   (torsionstatement)*
                    ENDBLOCK )  {
                                  blockStack.top()->validate();
                                  blockStack.pop(); 
                                  MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
                                  currMoleculeStamp->addTorsionStamp(currTorsionStamp); 
                                }
          ;

torsionstatement
{
  vector<int> ivec;
  TorsionStamp* currTorsionStamp = static_cast<TorsionStamp*>(blockStack.top());
}  
              : assignment
              | #(MEMBERS ivec=inttuple) {currTorsionStamp->setMembers(ivec);}
              ;

inversionblock  : #(INVERSION {InversionStamp* currInversionStamp = new InversionStamp(); blockStack.push(currInversionStamp);}
                   (inversionstatement)*
                    ENDBLOCK )  {
                                  blockStack.top()->validate();
                                  blockStack.pop(); 
                                  MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
                                  currMoleculeStamp->addInversionStamp(currInversionStamp); 
                                }
          ;

inversionstatement
{
  int icent;
  InversionStamp* currInversionStamp = static_cast<InversionStamp*>(blockStack.top());
}  
              : assignment
              | #(CENTER icent=intConst) {currInversionStamp->setCenter(icent);}
              ;

rigidbodyblock
{
int index;
}
              : #(RIGIDBODY index=intConst {RigidBodyStamp* currRigidBodyStamp = new RigidBodyStamp(index); blockStack.push(currRigidBodyStamp);}
                        (rigidbodystatement)* 
                        ENDBLOCK )  {
                                      blockStack.top()->validate();
                                      blockStack.pop(); 
                                      MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
                                      currMoleculeStamp->addRigidBodyStamp(currRigidBodyStamp); 
                                    }
                ;

rigidbodystatement  
{
  vector<int> ivec;
  RigidBodyStamp* currRigidBodyStamp = static_cast<RigidBodyStamp*>(blockStack.top());
}
              : assignment
              | #(MEMBERS ivec=inttuple) {currRigidBodyStamp->setMembers(ivec);}
              ;

cutoffgroupblock  : #(CUTOFFGROUP  {CutoffGroupStamp* currCutoffGroupStamp = new CutoffGroupStamp(); blockStack.push(currCutoffGroupStamp);}
                          (cutoffgroupstatement)* 
                           ENDBLOCK ) {
                                        blockStack.top()->validate();
                                        blockStack.pop(); 
                                        MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
                                        currMoleculeStamp->addCutoffGroupStamp(currCutoffGroupStamp); 
                                      }
                  ;

cutoffgroupstatement
{
  vector<int> ivec;
  CutoffGroupStamp* currCutoffGroupStamp = static_cast<CutoffGroupStamp*>(blockStack.top());
}  
              : assignment
              | #(MEMBERS ivec=inttuple) {currCutoffGroupStamp->setMembers(ivec);}             
              ;

fragmentblock {int ival;}
               : #(FRAGMENT ival=intConst {FragmentStamp* currFragmentStamp = new FragmentStamp(ival); blockStack.push(currFragmentStamp);}
                      (fragmentstatement)* 
                      ENDBLOCK) {
                                  blockStack.top()->validate();
                                  blockStack.pop(); 
                                  MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
                                  currMoleculeStamp->addFragmentStamp(currFragmentStamp); 
                                }
              ;

fragmentstatement : assignment
              ;


doubleNumberTuple   returns [vector<RealType> dvec]
{
  RealType dval;
}
              : (dval=doubleNumber {dvec.push_back(dval);})+  
              ;
                          
inttuple  returns [vector<int> ivec]
{
  int ival;
}
              : (ival=intConst {ivec.push_back(ival);})+ 
              ;

protected
intConst returns [int ival]
        : i1:NUM_INT {ival = lexi_cast<int>(i1->getText());} 
        | i2:NUM_LONG {ival = lexi_cast<int>(i2->getText());}
        ;

protected
doubleNumber  returns [RealType dval]
              : 
                ic:intConst {dval = lexi_cast<RealType>(ic->getText());}
                | fc:floatConst {dval = lexi_cast<RealType>(fc->getText());} 
                               
              ;
              
protected
floatConst returns [RealType dval]
        : d1:NUM_FLOAT {dval = lexi_cast<RealType>(d1->getText());}  
        | d2:NUM_DOUBLE {dval = lexi_cast<RealType>(d2->getText());} 
        ;
        
Revision:	1746
Committed:	Wed Jun 6 02:18:54 2012 UTC (12 years, 11 months ago) by gezelter
File size:	11769 byte(s)
Log Message:	added a minimizer parsing block
#	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	1731	\| componentblock
39			\| moleculeblock
40			\| zconstraintblock
41			\| restraintblock
42			\| flucqblock
43			\| rnemdblock
44	gezelter	1746	\| minimizerblock
45	gezelter	1731	;
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			int ival;
53	tim	963	RealType dval;
54	tim	814	}
55			: ival=intConst {blockStack.top()->assign(id->getText(), ival);}
56			\| dval=floatConst {blockStack.top()->assign(id->getText(), dval);}
57	tim	770	\| str1:ID {blockStack.top()->assign(id->getText(), str1->getText());}
58			\| str2:StringLiteral { std::string s = str2->getText();
59			s = s.substr(1, s.length()-2);
60			blockStack.top()->assign(id->getText(),s);
61			}
62			;
63
64
65			componentblock : #(COMPONENT {Component* currComponet = new Component(); blockStack.push(currComponet);}
66			(assignment)*
67			ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addComponent(currComponet);}
68			;
69
70			zconstraintblock : #(ZCONSTRAINT {ZConsStamp* currZConsStamp = new ZConsStamp(); blockStack.push(currZConsStamp);}
71			(assignment)*
72			ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addZConsStamp(currZConsStamp);}
73			;
74	cli2	1360
75			restraintblock : #(RESTRAINT {RestraintStamp* currRestraintStamp = new RestraintStamp(); blockStack.push(currRestraintStamp);}
76			(assignment)*
77			ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addRestraintStamp(currRestraintStamp);}
78			;
79	tim	770
80	gezelter	1731	flucqblock : #(FLUCQ {FluctuatingChargeParameters* flucQpars = new FluctuatingChargeParameters(); blockStack.push(flucQpars);}
81			(assignment)*
82			ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addFluctuatingChargeParameters(flucQpars);}
83			;
84
85			rnemdblock : #(RNEMD {RNEMDParameters* rnemdPars = new RNEMDParameters(); blockStack.push(rnemdPars);}
86			(assignment)*
87			ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addRNEMDParameters(rnemdPars);}
88			;
89
90	gezelter	1746	minimizerblock : #(MINIMIZER {MinimizerParameters* minimizerPars = new MinimizerParameters(); blockStack.push(minimizerPars);}
91			(assignment)*
92			ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addMinimizerParameters(minimizerPars);}
93			;
94	gezelter	1731
95	gezelter	1746
96	tim	770	moleculeblock : #(MOLECULE {MoleculeStamp* currMoleculeStamp = new MoleculeStamp(); blockStack.push(currMoleculeStamp);}
97			(moleculestatement)*
98			ENDBLOCK ) {blockStack.top()->validate(); blockStack.pop(); currConf->addMoleculeStamp(currMoleculeStamp);}
99			;
100
101			moleculestatement : assignment
102			\| atomblock
103			\| bondblock
104			\| bendblock
105			\| torsionblock
106	cli2	1275	\| inversionblock
107	tim	770	\| rigidbodyblock
108			\| cutoffgroupblock
109			\| fragmentblock
110			;
111
112			atomblock
113			{
114			int index;
115			}
116			: #(ATOM index=intConst {AtomStamp* currAtomStamp = new AtomStamp(index); blockStack.push(currAtomStamp);}
117			(atomstatement)*
118			ENDBLOCK ) {
119			blockStack.top()->validate();
120			blockStack.pop();
121			MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
122			currMoleculeStamp->addAtomStamp(currAtomStamp);
123			}
124			;
125
126			atomstatement
127			{
128	tim	963	vector<RealType> dvec;
129	tim	770	AtomStamp* currAtomStamp = static_cast<AtomStamp*>(blockStack.top());
130
131			}
132			: assignment
133	tim	814	\| #(POSITION dvec=doubleNumberTuple) {currAtomStamp->setPosition(dvec);}
134			\| #(ORIENTATION dvec=doubleNumberTuple) {currAtomStamp->setOrientation(dvec);}
135	tim	770	;
136
137
138			bondblock : #(BOND {BondStamp* currBondStamp = new BondStamp(); blockStack.push(currBondStamp);}
139			(bondstatement)*
140			ENDBLOCK ) {
141			blockStack.pop();
142			MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
143			currMoleculeStamp->addBondStamp(currBondStamp);
144			}
145			;
146
147			bondstatement
148			{
149			vector<int> ivec;
150			BondStamp* currBondStamp = static_cast<BondStamp*>(blockStack.top());
151			}
152			: assignment
153			\| #(MEMBERS ivec=inttuple) {currBondStamp->setMembers(ivec);}
154			;
155
156			bendblock : #(BEND {BendStamp* currBendStamp = new BendStamp(); blockStack.push(currBendStamp);}
157			(bendstatement)*
158			ENDBLOCK) {
159			blockStack.top()->validate();
160			blockStack.pop();
161			MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
162			currMoleculeStamp->addBendStamp(currBendStamp);
163			}
164			;
165
166			bendstatement
167			{
168			vector<int> ivec;
169			BendStamp* currBendStamp = static_cast<BendStamp*>(blockStack.top());
170			}
171			: assignment
172			\| #(MEMBERS ivec=inttuple) {currBendStamp->setMembers(ivec);}
173			;
174
175			torsionblock : #(TORSION {TorsionStamp* currTorsionStamp = new TorsionStamp(); blockStack.push(currTorsionStamp);}
176			(torsionstatement)*
177			ENDBLOCK ) {
178			blockStack.top()->validate();
179			blockStack.pop();
180			MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
181			currMoleculeStamp->addTorsionStamp(currTorsionStamp);
182			}
183			;
184
185			torsionstatement
186			{
187			vector<int> ivec;
188			TorsionStamp* currTorsionStamp = static_cast<TorsionStamp*>(blockStack.top());
189			}
190			: assignment
191			\| #(MEMBERS ivec=inttuple) {currTorsionStamp->setMembers(ivec);}
192			;
193
194	cli2	1275	inversionblock : #(INVERSION {InversionStamp* currInversionStamp = new InversionStamp(); blockStack.push(currInversionStamp);}
195			(inversionstatement)*
196			ENDBLOCK ) {
197			blockStack.top()->validate();
198			blockStack.pop();
199			MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
200			currMoleculeStamp->addInversionStamp(currInversionStamp);
201			}
202			;
203
204			inversionstatement
205			{
206			int icent;
207			InversionStamp* currInversionStamp = static_cast<InversionStamp*>(blockStack.top());
208			}
209			: assignment
210			\| #(CENTER icent=intConst) {currInversionStamp->setCenter(icent);}
211			;
212
213	tim	770	rigidbodyblock
214			{
215			int index;
216			}
217			: #(RIGIDBODY index=intConst {RigidBodyStamp* currRigidBodyStamp = new RigidBodyStamp(index); blockStack.push(currRigidBodyStamp);}
218			(rigidbodystatement)*
219			ENDBLOCK ) {
220			blockStack.top()->validate();
221			blockStack.pop();
222			MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
223			currMoleculeStamp->addRigidBodyStamp(currRigidBodyStamp);
224			}
225			;
226
227			rigidbodystatement
228			{
229			vector<int> ivec;
230			RigidBodyStamp* currRigidBodyStamp = static_cast<RigidBodyStamp*>(blockStack.top());
231			}
232			: assignment
233			\| #(MEMBERS ivec=inttuple) {currRigidBodyStamp->setMembers(ivec);}
234			;
235
236			cutoffgroupblock : #(CUTOFFGROUP {CutoffGroupStamp* currCutoffGroupStamp = new CutoffGroupStamp(); blockStack.push(currCutoffGroupStamp);}
237			(cutoffgroupstatement)*
238			ENDBLOCK ) {
239			blockStack.top()->validate();
240			blockStack.pop();
241			MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
242			currMoleculeStamp->addCutoffGroupStamp(currCutoffGroupStamp);
243			}
244			;
245
246			cutoffgroupstatement
247			{
248			vector<int> ivec;
249			CutoffGroupStamp* currCutoffGroupStamp = static_cast<CutoffGroupStamp*>(blockStack.top());
250			}
251			: assignment
252			\| #(MEMBERS ivec=inttuple) {currCutoffGroupStamp->setMembers(ivec);}
253			;
254
255			fragmentblock {int ival;}
256			: #(FRAGMENT ival=intConst {FragmentStamp* currFragmentStamp = new FragmentStamp(ival); blockStack.push(currFragmentStamp);}
257			(fragmentstatement)*
258			ENDBLOCK) {
259			blockStack.top()->validate();
260			blockStack.pop();
261			MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
262			currMoleculeStamp->addFragmentStamp(currFragmentStamp);
263			}
264			;
265
266			fragmentstatement : assignment
267			;
268
269
270
271	tim	963	doubleNumberTuple returns [vector<RealType> dvec]
272	tim	770	{
273	tim	963	RealType dval;
274	tim	770	}
275	tim	814	: (dval=doubleNumber {dvec.push_back(dval);})+
276	tim	770	;
277
278			inttuple returns [vector<int> ivec]
279			{
280			int ival;
281			}
282			: (ival=intConst {ivec.push_back(ival);})+
283			;
284
285			protected
286			intConst returns [int ival]
287	tim	814	: i1:NUM_INT {ival = lexi_cast<int>(i1->getText());}
288			\| i2:NUM_LONG {ival = lexi_cast<int>(i2->getText());}
289	tim	770	;
290
291			protected
292	tim	963	doubleNumber returns [RealType dval]
293	tim	810	:
294	tim	963	ic:intConst {dval = lexi_cast<RealType>(ic->getText());}
295			\| fc:floatConst {dval = lexi_cast<RealType>(fc->getText());}
296	tim	810
297	tim	770	;
298
299			protected
300	tim	963	floatConst returns [RealType dval]
301			: d1:NUM_FLOAT {dval = lexi_cast<RealType>(d1->getText());}
302			\| d2:NUM_DOUBLE {dval = lexi_cast<RealType>(d2->getText());}
303	tim	770	;
304	tim	810