stepwise::polar_hydrogens Namespace Reference

Functions
BooleanOptionKey const	polar_hydrogens ("stepwise:polar_hydrogens")
BooleanOptionKey const	vary_polar_hydrogen_geometry ("stepwise:polar_hydrogens:vary_polar_hydrogen_geometry")
RealOptionKey const	bond_angle_sd_polar_hydrogen ("stepwise:polar_hydrogens:bond_angle_sd_polar_hydrogen")
RealOptionKey const	bond_torsion_sd_polar_hydrogen ("stepwise:polar_hydrogens:bond_torsion_sd_polar_hydrogen")
BooleanOptionKey const	fix_lengths ("stepwise:polar_hydrogens:fix_lengths")
BooleanOptionKey const	fix_angles ("stepwise:polar_hydrogens:fix_angles")
BooleanOptionKey const	fix_torsions ("stepwise:polar_hydrogens:fix_torsions")
BooleanOptionKey const	disallow_pack_polar_hydrogens ("stepwise:polar_hydrogens:disallow_pack_polar_hydrogens")
BooleanOptionKey const	disallow_vary_geometry_proton_chi ("stepwise:polar_hydrogens:disallow_vary_geometry_proton_chi")

Function Documentation

bond_angle_sd_polar_hydrogen()

RealOptionKey const stepwise::polar_hydrogens::bond_angle_sd_polar_hydrogen

(

"stepwise:polar_hydrogens:bond_angle_sd_polar_hydrogen"

)

References polar_hydrogens().

bond_torsion_sd_polar_hydrogen()

RealOptionKey const stepwise::polar_hydrogens::bond_torsion_sd_polar_hydrogen

(

"stepwise:polar_hydrogens:bond_torsion_sd_polar_hydrogen"

)

References polar_hydrogens().

disallow_pack_polar_hydrogens()

BooleanOptionKey const stepwise::polar_hydrogens::disallow_pack_polar_hydrogens

(

"stepwise:polar_hydrogens:disallow_pack_polar_hydrogens"

)

References polar_hydrogens().

disallow_vary_geometry_proton_chi()

BooleanOptionKey const stepwise::polar_hydrogens::disallow_vary_geometry_proton_chi

(

"stepwise:polar_hydrogens:disallow_vary_geometry_proton_chi"

)

References polar_hydrogens().

fix_angles()

BooleanOptionKey const stepwise::polar_hydrogens::fix_angles

(

"stepwise:polar_hydrogens:fix_angles"

)

References polar_hydrogens().

fix_lengths()

BooleanOptionKey const stepwise::polar_hydrogens::fix_lengths

(

"stepwise:polar_hydrogens:fix_lengths"

)

References polar_hydrogens().

fix_torsions()

BooleanOptionKey const stepwise::polar_hydrogens::fix_torsions

(

"stepwise:polar_hydrogens:fix_torsions"

)

References polar_hydrogens().

polar_hydrogens()

BooleanOptionKey const stepwise::polar_hydrogens::polar_hydrogens

(

"stepwise:polar_hydrogens"

)

Referenced by bond_angle_sd_polar_hydrogen(), bond_torsion_sd_polar_hydrogen(), disallow_pack_polar_hydrogens(), disallow_vary_geometry_proton_chi(), fix_angles(), fix_lengths(), fix_torsions(), and vary_polar_hydrogen_geometry().

vary_polar_hydrogen_geometry()

BooleanOptionKey const stepwise::polar_hydrogens::vary_polar_hydrogen_geometry

(

"stepwise:polar_hydrogens:vary_polar_hydrogen_geometry"

)

References polar_hydrogens().