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2021.16
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protocols
md
MDBase
protocols::md::MDBase Member List
This is the complete list of members for
protocols::md::MDBase
, including all inherited members.
acc
() const
protocols::md::MDBase
inline
acc
(core::Size idof)
protocols::md::MDBase
inline
acc_
protocols::md::MDBase
private
add_trj
(core::optimization::Multivec xyz)
protocols::md::MDBase
inline
add_trj_scratch
(core::optimization::Multivec xyz)
protocols::md::MDBase
inline
apply
(core::pose::Pose &pose) override=0
protocols::md::MDBase
pure virtual
clear_info
()
protocols::moves::Mover
inline
virtual
clone
() const
protocols::moves::Mover
virtual
context_update_step
() const
protocols::md::MDBase
inline
context_update_step_
protocols::md::MDBase
private
create
()
protocols::moves::Mover
virtual
cst_sdev
() const
protocols::md::MDBase
inline
cst_sdev_
protocols::md::MDBase
private
cummulative_time
() const
protocols::md::MDBase
inline
cummulative_time_
protocols::md::MDBase
private
dt
() const
protocols::md::MDBase
inline
dt_
protocols::md::MDBase
private
Emin_obj
() const
protocols::md::MDBase
inline
Emin_obj_
protocols::md::MDBase
private
fresh_instance
() const
protocols::moves::Mover
virtual
Gamma
() const
protocols::md::MDBase
inline
Gamma_
protocols::md::MDBase
private
get_additional_output
()
protocols::moves::Mover
virtual
get_current_job
() const
protocols::moves::Mover
get_current_tag
() const
protocols::moves::Mover
inline
get_input_pose
() const
protocols::moves::Mover
get_last_move_status
() const
protocols::moves::Mover
get_name
() const override=0
protocols::md::MDBase
pure virtual
get_native_pose
() const
protocols::moves::Mover
get_self_ptr
() const
protocols::moves::Mover
inline
get_self_ptr
()
protocols::moves::Mover
inline
get_self_weak_ptr
() const
protocols::moves::Mover
inline
get_self_weak_ptr
()
protocols::moves::Mover
inline
get_type
() const
protocols::moves::Mover
inline
info
()
protocols::moves::Mover
inline
virtual
info
() const
protocols::moves::Mover
inline
virtual
init
()
protocols::md::MDBase
Kappa
() const
protocols::md::MDBase
inline
Kappa_
protocols::md::MDBase
private
kinetic_energy
() const
protocols::md::MDBase
inline
kinetic_energy_
protocols::md::MDBase
private
last_proposal_density_ratio
()
protocols::moves::Mover
inline
virtual
mass
() const
protocols::md::MDBase
inline
mass
(core::Size iatm) const
protocols::md::MDBase
inline
mass_
protocols::md::MDBase
private
md_energy_report_stepsize
() const
protocols::md::MDBase
inline
md_energy_report_stepsize_
protocols::md::MDBase
private
md_report_stepsize
() const
protocols::md::MDBase
inline
md_report_stepsize_
protocols::md::MDBase
private
md_rsr_update_stepsize
() const
protocols::md::MDBase
inline
md_rsr_update_stepsize_
protocols::md::MDBase
private
MDBase
()
protocols::md::MDBase
mdsch
() const
protocols::md::MDBase
inline
mdsch
(core::Size istep) const
protocols::md::MDBase
inline
mdsch_
protocols::md::MDBase
private
movemap
() const
protocols::md::MDBase
inline
movemap_
protocols::md::MDBase
private
Mover
()
protocols::moves::Mover
Mover
(std::string const &type_name)
protocols::moves::Mover
n_dof
() const
protocols::md::MDBase
inline
n_dof_
protocols::md::MDBase
private
n_dof_temp
() const
protocols::md::MDBase
inline
n_dof_temp_
protocols::md::MDBase
private
name
()
protocols::moves::Mover
inline
static
ncyc_postmin
() const
protocols::md::MDBase
inline
ncyc_postmin_
protocols::md::MDBase
private
ncyc_premin
() const
protocols::md::MDBase
inline
ncyc_premin_
protocols::md::MDBase
private
nstep
() const
protocols::md::MDBase
inline
nstep_
protocols::md::MDBase
private
parent
typedef
protocols::md::MDBase
parse_my_tag
(TagCOP tag, basic::datacache::DataMap &data)
protocols::moves::Mover
virtual
parse_schfile
(std::string const schfile)
protocols::md::MDBase
Pose
typedef
protocols::moves::Mover
pose0
() const
protocols::md::MDBase
inline
pose0_
protocols::md::MDBase
private
pose_minobj
() const
protocols::md::MDBase
inline
pose_minobj_
protocols::md::MDBase
private
PoseCOP
typedef
protocols::moves::Mover
potential_energy
() const
protocols::md::MDBase
inline
potential_energy_
protocols::md::MDBase
private
provide_citation_info
(basic::citation_manager::CitationCollectionList &) const
protocols::moves::Mover
virtual
prv_eqxyz
() const
protocols::md::MDBase
inline
prv_eqxyz_
protocols::md::MDBase
private
ref_xyz
() const
protocols::md::MDBase
inline
ref_xyz_
protocols::md::MDBase
private
register_options
()
protocols::moves::Mover
inline
static
reinitialize_for_each_job
() const
protocols::moves::Mover
virtual
reinitialize_for_new_input
() const
protocols::moves::Mover
virtual
renew_trj_scratch
()
protocols::md::MDBase
inline
report_as_silent
() const
protocols::md::MDBase
inline
report_as_silent_
protocols::md::MDBase
private
report_scorecomp
() const
protocols::md::MDBase
inline
report_scorecomp_
protocols::md::MDBase
private
report_silent
(core::pose::Pose &pose, core::Real rmsd=-1.0, core::Real gdttm=-1.0, core::Real gdtha=-1.0)
protocols::md::MDBase
reset_status
()
protocols::moves::Mover
resize_natm_variables
()
protocols::md::MDBase
rsrfilename
() const
protocols::md::MDBase
inline
rsrfilename_
protocols::md::MDBase
private
scheduled
() const
protocols::md::MDBase
inline
scheduled_
protocols::md::MDBase
private
scorefxn
() const
protocols::md::MDBase
inline
scorefxn_
protocols::md::MDBase
private
scorefxn_obj
() const
protocols::md::MDBase
inline
scorefxn_obj_
protocols::md::MDBase
private
selectmode
() const
protocols::md::MDBase
inline
selectmode_
protocols::md::MDBase
private
set_acc
(core::optimization::Multivec setting)
protocols::md::MDBase
inline
set_constraint
(core::Real const sdev)
protocols::md::MDBase
set_context_update_step
(core::Size setting)
protocols::md::MDBase
inline
set_cst_sdev
(core::Real setting)
protocols::md::MDBase
inline
set_cummulative_time
(core::Real setting)
protocols::md::MDBase
inline
set_current_job
(protocols::jobdist::BasicJobCOP job)
protocols::moves::Mover
set_current_tag
(std::string const &new_tag)
protocols::moves::Mover
inline
virtual
set_defaults
()
protocols::md::MDBase
inline
set_dt
(core::Real setting)
protocols::md::MDBase
inline
set_Emin_obj
(core::Real setting)
protocols::md::MDBase
inline
set_Gamma
(core::Real setting)
protocols::md::MDBase
inline
set_input_pose
(PoseCOP pose)
protocols::moves::Mover
virtual
set_Kappa
(core::Real setting)
protocols::md::MDBase
inline
set_kinetic_energy
(core::Real setting)
protocols::md::MDBase
inline
set_last_move_status
(MoverStatus status)
protocols::moves::Mover
protected
set_mass
(core::Size iatm, core::Real setting)
protocols::md::MDBase
inline
set_md_energy_report_stepsize
(core::Size setting)
protocols::md::MDBase
inline
set_md_report_stepsize
(core::Size setting)
protocols::md::MDBase
inline
set_md_rsr_update_stepsize
(core::Size setting)
protocols::md::MDBase
inline
set_mdsch
(utility::vector1< MDscheduleData > setting)
protocols::md::MDBase
inline
set_movemap
(core::pose::Pose const &pose, core::kinematics::MoveMapCOP movemap)
protocols::md::MDBase
virtual
set_n_dof
(core::Size setting)
protocols::md::MDBase
inline
set_n_dof_temp
(core::Size setting)
protocols::md::MDBase
inline
set_native_pose
(PoseCOP pose)
protocols::moves::Mover
virtual
set_ncyc_postmin
(core::Size setting)
protocols::md::MDBase
inline
set_ncyc_premin
(core::Size setting)
protocols::md::MDBase
inline
set_nstep
(core::Size setting)
protocols::md::MDBase
inline
set_pose0
(core::pose::Pose setting)
protocols::md::MDBase
inline
set_pose_minobj
(core::pose::Pose setting)
protocols::md::MDBase
inline
set_potential_energy
(core::Real setting)
protocols::md::MDBase
inline
set_prv_eqxyz
(core::optimization::Multivec setting)
protocols::md::MDBase
inline
set_ref_xyz
(core::optimization::Multivec setting)
protocols::md::MDBase
inline
set_report_as_silent
(bool setting)
protocols::md::MDBase
inline
set_report_scorecomp
(bool setting)
protocols::md::MDBase
inline
set_rsrfilename
(std::string setting)
protocols::md::MDBase
inline
set_scheduled
(bool setting)
protocols::md::MDBase
inline
set_scorefxn
(core::scoring::ScoreFunctionCOP setting)
protocols::md::MDBase
inline
set_scorefxn
(core::scoring::ScoreFunction const &setting)
protocols::md::MDBase
inline
set_scorefxn_obj
(core::scoring::ScoreFunctionCOP setting)
protocols::md::MDBase
inline
set_scorefxn_obj
(core::scoring::ScoreFunction const &setting)
protocols::md::MDBase
inline
set_selectmode
(std::string setting)
protocols::md::MDBase
inline
set_silentname
(std::string setting)
protocols::md::MDBase
inline
set_store_trj
(bool setting)
protocols::md::MDBase
inline
set_temp0
(core::Real setting)
protocols::md::MDBase
inline
set_temperature
(core::Real setting)
protocols::md::MDBase
inline
set_time_minobj
(core::Real setting)
protocols::md::MDBase
inline
set_trj
(utility::vector1< core::optimization::Multivec > setting)
protocols::md::MDBase
inline
set_trj_score_only
(bool setting)
protocols::md::MDBase
inline
set_trj_scratch
(utility::vector1< core::optimization::Multivec > setting)
protocols::md::MDBase
inline
set_type
(std::string const &setting)
protocols::moves::Mover
inline
set_uniform_coord_constrained
(bool setting)
protocols::md::MDBase
inline
set_vel
(core::optimization::Multivec setting)
protocols::md::MDBase
inline
set_write_dynamic_rsr
(bool setting)
protocols::md::MDBase
inline
set_write_dynamic_rsr
(std::string const filename)
protocols::md::MDBase
inline
set_xyz
(core::optimization::Multivec setting)
protocols::md::MDBase
inline
show
(std::ostream &output=std::cout) const
protocols::moves::Mover
virtual
silentname
() const
protocols::md::MDBase
inline
silentname_
protocols::md::MDBase
private
store_trj
() const
protocols::md::MDBase
inline
store_trj_
protocols::md::MDBase
private
Strings
typedef
protocols::moves::Mover
TagCOP
typedef
protocols::moves::Mover
temp0
() const
protocols::md::MDBase
inline
temp0_
protocols::md::MDBase
private
temperature
() const
protocols::md::MDBase
inline
temperature_
protocols::md::MDBase
private
test_move
(Pose &pose)
protocols::moves::Mover
inline
virtual
time_minobj
() const
protocols::md::MDBase
inline
time_minobj_
protocols::md::MDBase
private
trj
() const
protocols::md::MDBase
inline
trj
(core::Size itrj) const
protocols::md::MDBase
inline
trj_
protocols::md::MDBase
private
trj_score_only
() const
protocols::md::MDBase
inline
trj_score_only_
protocols::md::MDBase
private
trj_scratch
() const
protocols::md::MDBase
inline
trj_scratch_
protocols::md::MDBase
private
type
(const std::string &type_in)
protocols::moves::Mover
inline
type
() const
protocols::moves::Mover
inline
uniform_coord_constrained
() const
protocols::md::MDBase
inline
uniform_coord_constrained_
protocols::md::MDBase
private
vel
() const
protocols::md::MDBase
inline
vel
(core::Size idof)
protocols::md::MDBase
inline
vel_
protocols::md::MDBase
private
write_dynamic_rsr
() const
protocols::md::MDBase
inline
write_dynamic_rsr_
protocols::md::MDBase
private
xyz
() const
protocols::md::MDBase
inline
xyz
(core::Size idof)
protocols::md::MDBase
inline
xyz_
protocols::md::MDBase
private
~MDBase
() override
protocols::md::MDBase
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