#include <chemistry.h>
Public Attributes | |
unsigned char | Z |
enum gcu_radius_type | type |
double | value |
char | charge |
char * | scale |
char | cn |
enum gcu_spin_state | spin |
Definition at line 99 of file chemistry.h.
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The charge of the atom (or ion). Definition at line 108 of file chemistry.h. |
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the coordination number of the atom or -1 if unknown. Definition at line 112 of file chemistry.h. |
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The scale name, e.g. "Pauling" or "Shannon". Definition at line 110 of file chemistry.h. |
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The spin state (unknown, low or high). Definition at line 114 of file chemistry.h. |
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The radius type (unknown, ionic, metallic, covalent, or van der Waals). Definition at line 104 of file chemistry.h. |
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The radius value in pm. Definition at line 106 of file chemistry.h. Referenced by gcu::CrystalAtom::r(). |
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The atomic number. Definition at line 102 of file chemistry.h. |