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
    ;

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);}
                ;


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:	1731
Committed:	Thu May 31 12:25:30 2012 UTC (12 years, 11 months ago) by gezelter
File size:	11425 byte(s)
Log Message:	Reorganized source directories, added RNEMD and flucQ blocks for options parsing.
#	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	;
45
46	assignment : #(ASSIGNEQUAL id:ID constant[#id]) //{blockStack.top()->assign(#ID->getText(),);}
47	;
48
49	constant [ANTLR_USE_NAMESPACE(antlr)RefAST id]
50	{
51	int ival;
52	RealType dval;
53	}
54	: ival=intConst {blockStack.top()->assign(id->getText(), ival);}
55	\| dval=floatConst {blockStack.top()->assign(id->getText(), dval);}
56	\| str1:ID {blockStack.top()->assign(id->getText(), str1->getText());}
57	\| str2:StringLiteral { std::string s = str2->getText();
58	s = s.substr(1, s.length()-2);
59	blockStack.top()->assign(id->getText(),s);
60	}
61	;
62
63
64	componentblock : #(COMPONENT {Component* currComponet = new Component(); blockStack.push(currComponet);}
65	(assignment)*
66	ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addComponent(currComponet);}
67	;
68
69	zconstraintblock : #(ZCONSTRAINT {ZConsStamp* currZConsStamp = new ZConsStamp(); blockStack.push(currZConsStamp);}
70	(assignment)*
71	ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addZConsStamp(currZConsStamp);}
72	;
73
74	restraintblock : #(RESTRAINT {RestraintStamp* currRestraintStamp = new RestraintStamp(); blockStack.push(currRestraintStamp);}
75	(assignment)*
76	ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addRestraintStamp(currRestraintStamp);}
77	;
78
79	flucqblock : #(FLUCQ {FluctuatingChargeParameters* flucQpars = new FluctuatingChargeParameters(); blockStack.push(flucQpars);}
80	(assignment)*
81	ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addFluctuatingChargeParameters(flucQpars);}
82	;
83
84	rnemdblock : #(RNEMD {RNEMDParameters* rnemdPars = new RNEMDParameters(); blockStack.push(rnemdPars);}
85	(assignment)*
86	ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addRNEMDParameters(rnemdPars);}
87	;
88
89
90	moleculeblock : #(MOLECULE {MoleculeStamp* currMoleculeStamp = new MoleculeStamp(); blockStack.push(currMoleculeStamp);}
91	(moleculestatement)*
92	ENDBLOCK ) {blockStack.top()->validate(); blockStack.pop(); currConf->addMoleculeStamp(currMoleculeStamp);}
93	;
94
95	moleculestatement : assignment
96	\| atomblock
97	\| bondblock
98	\| bendblock
99	\| torsionblock
100	\| inversionblock
101	\| rigidbodyblock
102	\| cutoffgroupblock
103	\| fragmentblock
104	;
105
106	atomblock
107	{
108	int index;
109	}
110	: #(ATOM index=intConst {AtomStamp* currAtomStamp = new AtomStamp(index); blockStack.push(currAtomStamp);}
111	(atomstatement)*
112	ENDBLOCK ) {
113	blockStack.top()->validate();
114	blockStack.pop();
115	MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
116	currMoleculeStamp->addAtomStamp(currAtomStamp);
117	}
118	;
119
120	atomstatement
121	{
122	vector<RealType> dvec;
123	AtomStamp* currAtomStamp = static_cast<AtomStamp*>(blockStack.top());
124
125	}
126	: assignment
127	\| #(POSITION dvec=doubleNumberTuple) {currAtomStamp->setPosition(dvec);}
128	\| #(ORIENTATION dvec=doubleNumberTuple) {currAtomStamp->setOrientation(dvec);}
129	;
130
131
132	bondblock : #(BOND {BondStamp* currBondStamp = new BondStamp(); blockStack.push(currBondStamp);}
133	(bondstatement)*
134	ENDBLOCK ) {
135	blockStack.pop();
136	MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
137	currMoleculeStamp->addBondStamp(currBondStamp);
138	}
139	;
140
141	bondstatement
142	{
143	vector<int> ivec;
144	BondStamp* currBondStamp = static_cast<BondStamp*>(blockStack.top());
145	}
146	: assignment
147	\| #(MEMBERS ivec=inttuple) {currBondStamp->setMembers(ivec);}
148	;
149
150	bendblock : #(BEND {BendStamp* currBendStamp = new BendStamp(); blockStack.push(currBendStamp);}
151	(bendstatement)*
152	ENDBLOCK) {
153	blockStack.top()->validate();
154	blockStack.pop();
155	MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
156	currMoleculeStamp->addBendStamp(currBendStamp);
157	}
158	;
159
160	bendstatement
161	{
162	vector<int> ivec;
163	BendStamp* currBendStamp = static_cast<BendStamp*>(blockStack.top());
164	}
165	: assignment
166	\| #(MEMBERS ivec=inttuple) {currBendStamp->setMembers(ivec);}
167	;
168
169	torsionblock : #(TORSION {TorsionStamp* currTorsionStamp = new TorsionStamp(); blockStack.push(currTorsionStamp);}
170	(torsionstatement)*
171	ENDBLOCK ) {
172	blockStack.top()->validate();
173	blockStack.pop();
174	MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
175	currMoleculeStamp->addTorsionStamp(currTorsionStamp);
176	}
177	;
178
179	torsionstatement
180	{
181	vector<int> ivec;
182	TorsionStamp* currTorsionStamp = static_cast<TorsionStamp*>(blockStack.top());
183	}
184	: assignment
185	\| #(MEMBERS ivec=inttuple) {currTorsionStamp->setMembers(ivec);}
186	;
187
188	inversionblock : #(INVERSION {InversionStamp* currInversionStamp = new InversionStamp(); blockStack.push(currInversionStamp);}
189	(inversionstatement)*
190	ENDBLOCK ) {
191	blockStack.top()->validate();
192	blockStack.pop();
193	MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
194	currMoleculeStamp->addInversionStamp(currInversionStamp);
195	}
196	;
197
198	inversionstatement
199	{
200	int icent;
201	InversionStamp* currInversionStamp = static_cast<InversionStamp*>(blockStack.top());
202	}
203	: assignment
204	\| #(CENTER icent=intConst) {currInversionStamp->setCenter(icent);}
205	;
206
207	rigidbodyblock
208	{
209	int index;
210	}
211	: #(RIGIDBODY index=intConst {RigidBodyStamp* currRigidBodyStamp = new RigidBodyStamp(index); blockStack.push(currRigidBodyStamp);}
212	(rigidbodystatement)*
213	ENDBLOCK ) {
214	blockStack.top()->validate();
215	blockStack.pop();
216	MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
217	currMoleculeStamp->addRigidBodyStamp(currRigidBodyStamp);
218	}
219	;
220
221	rigidbodystatement
222	{
223	vector<int> ivec;
224	RigidBodyStamp* currRigidBodyStamp = static_cast<RigidBodyStamp*>(blockStack.top());
225	}
226	: assignment
227	\| #(MEMBERS ivec=inttuple) {currRigidBodyStamp->setMembers(ivec);}
228	;
229
230	cutoffgroupblock : #(CUTOFFGROUP {CutoffGroupStamp* currCutoffGroupStamp = new CutoffGroupStamp(); blockStack.push(currCutoffGroupStamp);}
231	(cutoffgroupstatement)*
232	ENDBLOCK ) {
233	blockStack.top()->validate();
234	blockStack.pop();
235	MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
236	currMoleculeStamp->addCutoffGroupStamp(currCutoffGroupStamp);
237	}
238	;
239
240	cutoffgroupstatement
241	{
242	vector<int> ivec;
243	CutoffGroupStamp* currCutoffGroupStamp = static_cast<CutoffGroupStamp*>(blockStack.top());
244	}
245	: assignment
246	\| #(MEMBERS ivec=inttuple) {currCutoffGroupStamp->setMembers(ivec);}
247	;
248
249	fragmentblock {int ival;}
250	: #(FRAGMENT ival=intConst {FragmentStamp* currFragmentStamp = new FragmentStamp(ival); blockStack.push(currFragmentStamp);}
251	(fragmentstatement)*
252	ENDBLOCK) {
253	blockStack.top()->validate();
254	blockStack.pop();
255	MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
256	currMoleculeStamp->addFragmentStamp(currFragmentStamp);
257	}
258	;
259
260	fragmentstatement : assignment
261	;
262
263
264
265	doubleNumberTuple returns [vector<RealType> dvec]
266	{
267	RealType dval;
268	}
269	: (dval=doubleNumber {dvec.push_back(dval);})+
270	;
271
272	inttuple returns [vector<int> ivec]
273	{
274	int ival;
275	}
276	: (ival=intConst {ivec.push_back(ival);})+
277	;
278
279	protected
280	intConst returns [int ival]
281	: i1:NUM_INT {ival = lexi_cast<int>(i1->getText());}
282	\| i2:NUM_LONG {ival = lexi_cast<int>(i2->getText());}
283	;
284
285	protected
286	doubleNumber returns [RealType dval]
287	:
288	ic:intConst {dval = lexi_cast<RealType>(ic->getText());}
289	\| fc:floatConst {dval = lexi_cast<RealType>(fc->getText());}
290
291	;
292
293	protected
294	floatConst returns [RealType dval]
295	: d1:NUM_FLOAT {dval = lexi_cast<RealType>(d1->getText());}
296	\| d2:NUM_DOUBLE {dval = lexi_cast<RealType>(d2->getText());}
297	;
298