| Bsoft 2.0.5 Bernard's software package

mol_select.h
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1
9 #include "Vector3.h"
10 #include "rwmolecule.h"
11
12 // Function prototypes
13 long molgroup_select(Bmolgroup* molgroup, Bstring selstr);
14 long molgroup_atoms_selected(Bmolgroup* molgroup);
15 long molgroup_select_all(Bmolgroup* molgroup);
16 long molgroup_deselect_all(Bmolgroup* molgroup);
17 int molgroup_select_chains(Bmolgroup* molgroup, Bstring chains);
18 int molgroup_coor_select_ring(Bmolgroup* molgroup, double rmin, double rmax);
19 int molgroup_coor_select(Bmolgroup* molgroup, Vector3<double> min, Vector3<double> max);
20
molgroup_coor_select_ring
int molgroup_coor_select_ring(Bmolgroup *molgroup, double rmin, double rmax)
Selects atoms in a ring.
Definition: mol_select.cpp:195
molgroup_atoms_selected
long molgroup_atoms_selected(Bmolgroup *molgroup)
Returns the number of atoms selected.
Definition: mol_select.cpp:27
molgroup_select_chains
int molgroup_select_chains(Bmolgroup *molgroup, Bstring chains)
Selects molecules.
Definition: mol_select.cpp:168
molgroup_deselect_all
long molgroup_deselect_all(Bmolgroup *molgroup)
Unsets selection for all atoms.
Definition: mol_select.cpp:147
molgroup_select_all
long molgroup_select_all(Bmolgroup *molgroup)
Sets selection for all atoms.
Definition: mol_select.cpp:125
rwmolecule.h
Header file for reading reflection files.
Bmolgroup
Definition: rwmolecule.h:170
Bstring
Definition: Bstring.h:29
Vector3< double >
Vector3.h
Class for 3-value vectors.
molgroup_coor_select
int molgroup_coor_select(Bmolgroup *molgroup, Vector3< double > min, Vector3< double > max)
Selects atoms within a box.
Definition: mol_select.cpp:233
molgroup_select
long molgroup_select(Bmolgroup *molgroup, Bstring selstr)
Sets selection based on a specification.
Definition: mol_select.cpp:51