MolckSettings Struct Reference

#include <molck.hh>

Public Member Functions
	MolckSettings (bool init_rm_unk_atoms=false, bool init_rm_non_std=false, bool init_rm_hyd_atoms=true, bool init_rm_oxt_atoms=false, bool init_rm_zero_occ_atoms=false, bool init_colored=false, bool init_map_nonstd_res=true, bool init_assign_elem=true)
std::string	ToString ()

Data Fields
bool	rm_unk_atoms
bool	rm_non_std
bool	rm_hyd_atoms
bool	rm_oxt_atoms
bool	rm_zero_occ_atoms
bool	colored
bool	map_nonstd_res
bool	assign_elem

Detailed Description

Definition at line 37 of file molck.hh.

Constructor & Destructor Documentation

MolckSettings ( bool  init_rm_unk_atoms = false, bool  init_rm_non_std = false, bool  init_rm_hyd_atoms = true, bool  init_rm_oxt_atoms = false, bool  init_rm_zero_occ_atoms = false, bool  init_colored = false, bool  init_map_nonstd_res = true, bool  init_assign_elem = true  )

inline

Definition at line 48 of file molck.hh.

Member Function Documentation

std::string ToString ( )

inline

Definition at line 66 of file molck.hh.

Field Documentation

bool assign_elem

Definition at line 46 of file molck.hh.

bool colored

Definition at line 44 of file molck.hh.

bool map_nonstd_res

Definition at line 45 of file molck.hh.

bool rm_hyd_atoms

Definition at line 41 of file molck.hh.

bool rm_non_std

Definition at line 40 of file molck.hh.

bool rm_oxt_atoms

Definition at line 42 of file molck.hh.

bool rm_unk_atoms

Definition at line 39 of file molck.hh.

bool rm_zero_occ_atoms

Definition at line 43 of file molck.hh.

---

The documentation for this struct was generated from the following file:

• build-2.7-doc/stage/include/ost/mol/alg/molck.hh