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
#	Content
1	header
2	{
3	#include <stack>
4	#include "io/Globals.hpp"
5	#include "utils/StringUtils.hpp"
6	using namespace std;
7	using namespace OpenMD;
8	}
9	options
10	{
11	language = "Cpp";
12	}
13
14	class MDTreeParser extends TreeParser;
15
16	options
17	{
18	k = 1;
19	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	\| componentblock
39	\| moleculeblock
40	\| zconstraintblock
41	\| restraintblock
42	\| flucqblock
43	\| rnemdblock
44	\| minimizerblock
45	;
46
47	assignment : #(ASSIGNEQUAL id:ID constant[#id]) //{blockStack.top()->assign(#ID->getText(),);}
48	;
49
50	constant [ANTLR_USE_NAMESPACE(antlr)RefAST id]
51	{
52	int ival;
53	RealType dval;
54	}
55	: ival=intConst {blockStack.top()->assign(id->getText(), ival);}
56	\| dval=floatConst {blockStack.top()->assign(id->getText(), dval);}
57	\| 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
75	restraintblock : #(RESTRAINT {RestraintStamp* currRestraintStamp = new RestraintStamp(); blockStack.push(currRestraintStamp);}
76	(assignment)*
77	ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addRestraintStamp(currRestraintStamp);}
78	;
79
80	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	minimizerblock : #(MINIMIZER {MinimizerParameters* minimizerPars = new MinimizerParameters(); blockStack.push(minimizerPars);}
91	(assignment)*
92	ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addMinimizerParameters(minimizerPars);}
93	;
94
95
96	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	\| inversionblock
107	\| 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	vector<RealType> dvec;
129	AtomStamp* currAtomStamp = static_cast<AtomStamp*>(blockStack.top());
130
131	}
132	: assignment
133	\| #(POSITION dvec=doubleNumberTuple) {currAtomStamp->setPosition(dvec);}
134	\| #(ORIENTATION dvec=doubleNumberTuple) {currAtomStamp->setOrientation(dvec);}
135	;
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	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	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	doubleNumberTuple returns [vector<RealType> dvec]
272	{
273	RealType dval;
274	}
275	: (dval=doubleNumber {dvec.push_back(dval);})+
276	;
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	: i1:NUM_INT {ival = lexi_cast<int>(i1->getText());}
288	\| i2:NUM_LONG {ival = lexi_cast<int>(i2->getText());}
289	;
290
291	protected
292	doubleNumber returns [RealType dval]
293	:
294	ic:intConst {dval = lexi_cast<RealType>(ic->getText());}
295	\| fc:floatConst {dval = lexi_cast<RealType>(fc->getText());}
296
297	;
298
299	protected
300	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	;
304