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root/group/branches/new_design/OOPSE-2.0/src/brains/SimModel.hpp
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Comparing branches/new_design/OOPSE-2.0/src/brains/SimModel.hpp (file contents):
Revision 1698 by tim, Tue Nov 2 15:23:46 2004 UTC vs.
Revision 1699 by tim, Tue Nov 2 17:00:12 2004 UTC

# Line 72 | Line 72 | class SimModel {
72  
73          /** Returns the total number of atoms in this SimModel */
74          unsigned int getNAtoms() {
75 <            return nAtom_;
75 >            return nAtoms_;
76          }
77  
78          /** Returns the total number of bonds in this SimModel */        
79          unsigned int getNBonds(){
80 <            return nBond_;
80 >            return nBonds_;
81          }
82  
83          /** Returns the total number of bends in this SimModel */        
84          unsigned int getNBends() {
85 <            return nBend_;
85 >            return nBends_;
86          }
87  
88          /** Returns the total number of torsions in this SimModel */        
89          unsigned int getNTorsions() {
90 <            return nTorsion_;
90 >            return nTorsions_;
91          }
92  
93          /** Returns the total number of rigid bodies in this SimModel */        
# Line 125 | Line 125 | class SimModel {
125          Molecule* nextMolecule(std::vector<Molecule*>::iterator& i);
126  
127          /** Returns the number of degrees of freedom */
128 <        int getNDF();
128 >        int getNDF() {
129 >            return ndf_;
130 >        }
131  
132          /** Returns the number of raw degrees of freedom */
133 <        int getNDFRaw();
133 >        int getNDFRaw() {
134 >            return ndfRaw_;
135 >        }
136  
137          /** Returns the number of translational degrees of freedom */
138 <        int getNDFtranslational();
138 >        int getNDFTrans() {
139 >            return ndfTrans_;
140 >        }
141  
142          /** Returns the snapshot manager. */
143          SnapshotManager* getSnapshotManager() {
# Line 144 | Line 150 | class SimModel {
150          }
151          
152      private:
153 +
154 +        void calcNDF();
155 +        void calcNDFRaw();
156 +        void calcNDFTrans();
157 +
158 +        int ndf_;
159 +        int ndfRaw_;
160 +        int ndfTrans_;
161          
162 <        int nAtom_;
163 <        int nBond_;
164 <        int nBend_;
165 <        int nTorsion_;
166 <        int nRigidBody_;
167 <        int nCutoffGroup_;
162 >        int nAtoms_;
163 >        int nBonds_;
164 >        int nBends_;
165 >        int nTorsions_;
166 >        int nRigidBodies_;
167 >        int nIntegrableObjects_;
168 >        int nCutoffGroups_;
169          int nConstraints_;
170  
171          std::vector<Molecule*> molecules_; /**< Molecule array */

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