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Rosetta Core
2014.35
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run optH; disallowed positions may be set to prevent optimization for those residues More...
#include <OptH.hh>
Public Member Functions | |
OptH () | |
default constructor More... | |
OptH (OptH const &rval) | |
copy constructor More... | |
virtual | ~OptH () |
default destructor More... | |
virtual TaskOperationOP | clone () const |
clone this object More... | |
virtual void | apply (Pose const &, PackerTask &task) const |
apply operations to PackerTask More... | |
void | disallow_resid (Size const resid) |
prevent a position from being optimized More... | |
void | init_from_comand_line (bool const flag) |
init flags from command line? (default true) More... | |
void | include_current (bool const flag) |
include current sidechain rotamers? (default true) More... | |
void | flip_HNQ (bool const flag) |
allow sidechain flips of HNQ? (default false) More... | |
void | use_multicool_annealer (bool const flag) |
use multicool annealer? (default false) More... | |
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virtual | ~TaskOperation () |
virtual void | parse_tag (TagCOP, DataMap &) |
Used to parse an xml-like tag to load parameters and properties. More... | |
virtual void | parse_def (utility::lua::LuaObject const &def) |
Private Types | |
typedef core::pack::task::operation::TaskOperation | Super |
Private Attributes | |
utility::vector1< Size > | disallowed_resids_ |
prevent these positions from being optimized More... | |
bool | init_from_command_line_ |
init flags from command line? (default true) More... | |
bool | include_current_ |
include current sidechain rotamers? (default true) More... | |
bool | flip_HNQ_ |
allow sidechain flips of HNQ? (default false) More... | |
bool | use_multicool_annealer_ |
use multicool annealer? (default false) More... | |
run optH; disallowed positions may be set to prevent optimization for those residues
typedef core::pack::task::operation::TaskOperationOP core::pack::task::operation::OptH::TaskOperationOP |
core::pack::task::operation::OptH::OptH | ( | ) |
default constructor
Referenced by clone().
core::pack::task::operation::OptH::OptH | ( | OptH const & | rval | ) |
copy constructor
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virtual |
default destructor
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apply operations to PackerTask
Implements core::pack::task::operation::TaskOperation.
References disallowed_resids_, flip_HNQ_, include_current_, init_from_command_line_, core::pack::task::PackerTask::initialize_from_command_line(), core::pack::task::PackerTask::nonconst_residue_task(), core::pack::task::PackerTask::or_flip_HNQ(), core::pack::task::PackerTask::or_include_current(), core::pack::task::PackerTask::or_multi_cool_annealer(), core::pack::task::PackerTask::or_optimize_h_mode(), core::pack::task::ResidueLevelTask::prevent_repacking(), and use_multicool_annealer_.
Referenced by core::pack::task::operation::OptCysHG::apply().
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void core::pack::task::operation::OptH::disallow_resid | ( | Size const | resid | ) |
prevent a position from being optimized
References disallowed_resids_.
Referenced by core::pack::task::operation::OptCysHG::apply().
void core::pack::task::operation::OptH::flip_HNQ | ( | bool const | flag | ) |
allow sidechain flips of HNQ? (default false)
References flip_HNQ_.
void core::pack::task::operation::OptH::include_current | ( | bool const | flag | ) |
include current sidechain rotamers? (default true)
References include_current_.
void core::pack::task::operation::OptH::init_from_comand_line | ( | bool const | flag | ) |
init flags from command line? (default true)
References init_from_command_line_.
void core::pack::task::operation::OptH::use_multicool_annealer | ( | bool const | flag | ) |
use multicool annealer? (default false)
References use_multicool_annealer_.
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private |
prevent these positions from being optimized
Referenced by apply(), and disallow_resid().
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private |
allow sidechain flips of HNQ? (default false)
Referenced by apply(), and flip_HNQ().
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private |
include current sidechain rotamers? (default true)
Referenced by apply(), and include_current().
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private |
init flags from command line? (default true)
Referenced by apply(), and init_from_comand_line().
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private |
use multicool annealer? (default false)
Referenced by apply(), and use_multicool_annealer().