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root/group/trunk/OOPSE/libmdtools/Atom.hpp
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Comparing trunk/OOPSE/libmdtools/Atom.hpp (file contents):
Revision 998 by gezelter, Fri Dec 12 15:42:13 2003 UTC vs.
Revision 999 by chrisfen, Fri Jan 30 15:01:09 2004 UTC

# Line 63 | Line 63 | class Atom{ (public)
63    void setLJ( void )        { is_LJ = 1; is_VDW = 0; }
64    int isLJ( void )    { return is_LJ; }
65  
66 <  void seVDW( void )        { is_VDW = 1; is_LJ = 0; }
66 >  void setVDW( void )        { is_VDW = 1; is_LJ = 0; }
67    int isVDW( void )    { return is_VDW; }
68  
69    void setEAM( void ) { is_EAM = 1; }
70    int  isEAM( void ) { return is_EAM; }
71  
72 +  void setCharged( void ) { is_charged = 1; }
73 +  int isCharged( void ) { return is_charged; }
74 +
75    virtual int isDirectional( void ) = 0;
76  
77  
# Line 105 | Line 108 | class Atom{ (public)
108    int c_n_hyd; // the number of hydrogens bonded to the atom
109    
110    int has_dipole; // dipole boolean
111 <  int is_VDW;    // VDW boolean
112 <  int is_LJ;    // LJ boolean
113 <  int is_EAM; //EAM boolean
111 >  int is_VDW;     // VDW boolean
112 >  int is_LJ;      // LJ boolean
113 >  int is_EAM;     // EAM boolean
114 >  int is_charged;   // isCharge boolean
115  
116    bool hasCoords;
117  

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