#include <chemistry.h>
Public Attributes | |
| unsigned char | Z |
| enum gcu_radius_type | type |
| GcuDimensionalValue | value |
| char | charge |
| char * | scale |
| char | cn |
| enum gcu_spin_state | spin |
Definition at line 130 of file chemistry.h.
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The charge of the atom (or ion). Definition at line 139 of file chemistry.h. |
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the coordination number of the atom or -1 if unknown. Definition at line 143 of file chemistry.h. |
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The scale name, e.g. "Pauling" or "Shannon". Definition at line 141 of file chemistry.h. |
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The spin state (unknown, low or high). Definition at line 145 of file chemistry.h. |
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The radius type (unknown, ionic, metallic, covalent, or van der Waals). Definition at line 135 of file chemistry.h. |
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The radius value (the unit should always be pm). Definition at line 137 of file chemistry.h. Referenced by gcu::CrystalAtom::r(). |
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The atomic number. Definition at line 133 of file chemistry.h. |
1.4.1