22 #ifndef _intco_simple_h
23 #define _intco_simple_h
32 #include <util/class/class.h>
33 #include <util/state/state.h>
34 #include <util/keyval/keyval.h>
35 #include <chemistry/molecule/molecule.h>
36 #include <chemistry/molecule/coor.h>
38 #include <math/scmat/vector3.h>
142 #define SimpleCo_DECLARE(classname) \
144 virtual classname& operator=(const classname&); \
145 SimpleCo& operator=(const SimpleCo&); \
146 double calc_force_con(Molecule&); \
147 double calc_intco(Molecule&, double* =0, double =1); \
148 classname(StateIn&); \
149 void save_data_state(StateOut&)
151 #define SimpleCo_IMPL_eq(classname) \
152 SimpleCo& classname::operator=(const SimpleCo& c) \
154 classname *cp = dynamic_cast<classname*>((SimpleCo*)&c); \
166 #define SimpleCo_IMPL_StateIn(classname) \
167 classname::classname(StateIn&si): \
172 #define SimpleCo_IMPL_save_data_state(classname) \
173 void classname::save_data_state(StateOut&so) \
175 SimpleCo::save_data_state(so); \
178 #define SimpleCo_IMPL(classname) \
179 SimpleCo_IMPL_eq(classname) \
180 SimpleCo_IMPL_StateIn(classname) \
181 SimpleCo_IMPL_save_data_state(classname)
209 const char *
ctype()
const;
223 static const double rtd = 180.0/M_PI;
254 const char *
ctype()
const;
312 const char *
ctype()
const;
375 const char *
ctype()
const;
424 const char *
ctype()
const;
479 const char *
ctype()
const;
537 const char *
ctype()
const;
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