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Public Member Functions | Data Fields
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: