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mmeineke |
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#ifndef _ATOM_PARSER_ |
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#define _ATOM_PARSER_ |
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struct atom { |
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char name[30]; |
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double vanDerWallRadii; |
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double covalentRadii; |
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int red; |
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int green; |
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int blue; |
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}; |
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struct linked_atom { |
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struct atom myAtom; |
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struct linked_atom *next; |
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}; |
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extern void initializeParser(void); |
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extern void update_types(char *); |
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extern struct linked_atom *get_type_list(void); |
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extern void clean_type_list(void); |
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extern int findAtomType(char *, struct atom *); |
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extern int get_n_inUse(void); |
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#endif |