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root/group/branches/new_design/OOPSE-3.0/src/primitives/SRI.hpp
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Comparing:
trunk/OOPSE-3.0/src/primitives/SRI.hpp (file contents), Revision 1490 by gezelter, Fri Sep 24 04:16:43 2004 UTC vs.
branches/new_design/OOPSE-3.0/src/primitives/SRI.hpp (file contents), Revision 1701 by tim, Wed Nov 3 16:08:43 2004 UTC

# Line 3 | Line 3
3  
4   #include <iostream>
5  
6 < #include "Atom.hpp"
7 < #include "DirectionalAtom.hpp"
8 < #include "AbstractClasses.hpp"
6 > #include "primitives/Atom.hpp"
7 > #include "primitives/DirectionalAtom.hpp"
8 > #include "primitives/AbstractClasses.hpp"
9  
10   // a little home-made vector structure
11  
# Line 104 | Line 104 | class ConstrainedBond : public Bond{ (public)
104    
105    void printMe( void ){
106      std::cerr << c_p_a->getType() << " - " << c_p_b->getType()
107 <              << ": " << c_p_a->getIndex() << " - "
108 <              << c_p_b->getIndex()
107 >              << ": " << c_p_a->getLocalIndex() << " - "
108 >              << c_p_b->getLocalIndex()
109                << ", d0 = " << d0 << "\n";
110    }
111  
# Line 122 | Line 122 | class HarmonicBond : public Bond{ (public)
122  
123    void printMe( void ){
124      std::cerr << c_p_a->getType() << " - " << c_p_b->getType()
125 <              << ": " << c_p_a->getIndex() << " - "
126 <              << c_p_b->getIndex()
125 >              << ": " << c_p_a->getLocalIndex() << " - "
126 >              << c_p_b->getLocalIndex()
127                << ", d0 = " << d0 << ", k0 = " << k0 <<"\n";
128    }
129  
# Line 145 | Line 145 | class QuadraticBend : public Bend{ (public)
145    void printMe( void ){
146      std::cerr << c_p_a->getType() << " - " << c_p_b->getType() << " - "
147                << c_p_c->getType() << " : "
148 <              << c_p_a->getIndex() << " - " << c_p_b->getIndex() << " - "
149 <              << c_p_c->getIndex()
148 >              << c_p_a->getLocalIndex() << " - " << c_p_b->getLocalIndex() << " - "
149 >              << c_p_c->getLocalIndex()
150                <<", k1 = " << c1 << "; k2 = " << c2
151                << "; k3 = " << c3 << "; theta0 =" << theta0 << "\n";
152    }
# Line 171 | Line 171 | class GhostBend : public Bend{ (public)
171    void printMe( void ){
172      std::cerr << c_p_a->getType() << " - " << c_p_b->getType()
173                << " : "
174 <              << c_p_a->getIndex() << " - " << c_p_b->getIndex() << " - "
174 >              << c_p_a->getLocalIndex() << " - " << c_p_b->getLocalIndex() << " - "
175                <<", k1 = " << c1 << "; k2 = " << c2
176                << "; k3 = " << c3 << "; theta0 =" << theta0 << "\n";
177    }
# Line 196 | Line 196 | class CubicTorsion : public Torsion{ (public)
196    void printMe( void ){
197      std::cerr << c_p_a->getType() << " - " << c_p_b->getType() << " - "
198                << c_p_c->getType() << " - " << c_p_d->getType() << ": "
199 <              << c_p_a->getIndex() << " - " << c_p_b->getIndex() << " - "
200 <              << c_p_c->getIndex() << " - " << c_p_d->getIndex()
199 >              << c_p_a->getLocalIndex() << " - " << c_p_b->getLocalIndex() << " - "
200 >              << c_p_c->getLocalIndex() << " - " << c_p_d->getLocalIndex()
201                << ", k1 = " << k1 << "; k2 = " << k2
202                << "; k3 = " << k3 << "; k4 =" << k4 << "\n";
203    }

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