| # | Line 77 | Line 77 | class Atom{ (public) | |
|---|---|---|
| 77 | ||
| 78 | char *getType() {return c_name;} | |
| 79 | void setType(char * name) {strcpy(c_name,name);} | |
| 80 | + | |
| 81 | + | int getIdent( void ) { return ident; } |
| 82 | + | void setIdent( int info ) { ident = info; } |
| 83 | ||
| 84 | void set_n_hydrogens( int n_h ) {c_n_hyd = n_h;} | |
| 85 | int get_n_hydrogens() const {return c_n_hyd;} | |
| # | Line 109 | Line 112 | class Atom{ (public) | |
| 112 | int offsetX, offsetY, offsetZ; | |
| 113 | ||
| 114 | char c_name[100]; /* it's name */ | |
| 115 | + | int ident; // it's unique numeric identity. |
| 116 | ||
| 117 | int c_n_hyd; // the number of hydrogens bonded to the atom | |
| 118 | ||
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