Gromacs
2024.3
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#include <gromacs/selection/evaluate.h>
Data structure for passing information required during evaluation.
Public Attributes | |
gmx_sel_mempool_t * | mp |
Memory pool for intermediate values. More... | |
gmx_ana_index_t * | gall |
Index group that contains all the atoms. More... | |
const gmx_mtop_t * | top |
Topology information. More... | |
t_trxframe * | fr |
Current frame. More... | |
t_pbc * | pbc |
PBC data. More... | |
t_trxframe* gmx_sel_evaluate_t::fr |
Current frame.
gmx_ana_index_t* gmx_sel_evaluate_t::gall |
Index group that contains all the atoms.
gmx_sel_mempool_t* gmx_sel_evaluate_t::mp |
Memory pool for intermediate values.
t_pbc* gmx_sel_evaluate_t::pbc |
PBC data.
const gmx_mtop_t* gmx_sel_evaluate_t::top |
Topology information.