#include <ReadMDLMol.h>
Public Methods | |
mdl_atom (void) | |
Public Attributes | |
float | x |
float | y |
float | z |
char | symbol [4] |
int | mass_difference |
int | charge |
int | stereo_parity |
int | hcount |
int | stereo_care_box |
int | valence |
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Definition at line 35 of file ReadMDLMol.h. References charge, hcount, mass_difference, stereo_care_box, stereo_parity, symbol, valence, x, y, and z. |
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Definition at line 45 of file ReadMDLMol.h. Referenced by mdl_atom, molecule_mdl, read_mdl_atom, and write_mdl_atom. |
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Definition at line 47 of file ReadMDLMol.h. Referenced by mdl_atom, read_mdl_atom, and write_mdl_atom. |
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Definition at line 44 of file ReadMDLMol.h. Referenced by mdl_atom, molecule_mdl, read_mdl_atom, and write_mdl_atom. |
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Definition at line 52 of file ReadMDLMol.h. Referenced by mdl_atom, read_mdl_atom, and write_mdl_atom. |
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Definition at line 46 of file ReadMDLMol.h. Referenced by mdl_atom, read_mdl_atom, and write_mdl_atom. |
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Definition at line 43 of file ReadMDLMol.h. Referenced by mdl_atom, molecule_mdl, read_mdl_atom, and write_mdl_atom. |
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Definition at line 53 of file ReadMDLMol.h. Referenced by mdl_atom, read_mdl_atom, and write_mdl_atom. |
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Definition at line 42 of file ReadMDLMol.h. Referenced by mdl_atom, molecule_mdl, read_mdl_atom, and write_mdl_atom. |
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Definition at line 42 of file ReadMDLMol.h. Referenced by mdl_atom, molecule_mdl, read_mdl_atom, and write_mdl_atom. |
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Definition at line 42 of file ReadMDLMol.h. Referenced by mdl_atom, molecule_mdl, read_mdl_atom, and write_mdl_atom. |