#include <ResidueDepthFilter.hh>
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void | initialize () |
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utility::vector1< core::Vector > | read_unit_waterbox (core::Vector &boxwidth) const |
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void | get_pose_crd_and_index (core::pose::Pose const &pose, utility::vector1< core::Vector > &protein_crd, utility::vector1< core::Size > &coarse_index, utility::vector1< core::Size > &res_id) const |
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utility::vector1< core::Vector > | get_coarse_crd (utility::vector1< core::Vector > const &protein_crd, utility::vector1< core::Size > const &coarse_index) const |
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void | duplicate_waterbox (utility::vector1< core::Vector > const &unit_waterbox_crd, core::Vector const boxwidth, core::Vector const mincrds, core::Vector const maxcrds) const |
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core::Vector | bring_to_origin (utility::vector1< core::Vector > &protein_crd, core::Vector &maxcrds, core::Vector &mincrds) const |
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void | append_unitbox (utility::vector1< core::Vector > const &unitbox, utility::vector1< core::Vector > &waterbox_dupl, core::Vector const boxwidth, int const i, int const j, int const k) const |
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void | pert_protein (utility::vector1< core::Vector > &protein_crd) const |
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utility::vector1< core::Vector > | quat2U (core::Vector const &quat3, core::Real const &quatw) const |
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utility::vector1< bool > | get_exclusion_index (utility::vector1< core::Vector > const &protein_crd, utility::vector1< core::Vector > const &protein_coarse_crd) const |
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utility::vector1< core::Real > | get_scdepth (utility::vector1< bool > const &excluded_wat, utility::vector1< core::Vector > const &protein_crd, utility::vector1< core::Size > const &res_id) const |
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bool | stack_and_getaverage (utility::vector1< utility::vector1< core::Real > > &sc_depth_stack, utility::vector1< core::Real > const &sc_depth, core::Size const niter) const |
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protocols::simple_filters::ResidueDepthCalculator::ResidueDepthCalculator |
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protocols::simple_filters::ResidueDepthCalculator::~ResidueDepthCalculator |
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default |
void protocols::simple_filters::ResidueDepthCalculator::append_unitbox |
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utility::vector1< core::Vector > const & |
unitbox, |
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utility::vector1< core::Vector > & |
waterbox_dupl, |
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core::Vector const |
boxwidth, |
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int const |
i, |
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int const |
j, |
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int const |
k |
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utility::vector1< core::Real > protocols::simple_filters::ResidueDepthCalculator::estimate_sidechain_depth |
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core::pose::Pose const & |
pose | ) |
const |
utility::vector1< Vector > protocols::simple_filters::ResidueDepthCalculator::get_coarse_crd |
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utility::vector1< core::Vector > const & |
protein_crd, |
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utility::vector1< core::Size > const & |
coarse_index |
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private |
utility::vector1< bool > protocols::simple_filters::ResidueDepthCalculator::get_exclusion_index |
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utility::vector1< core::Vector > const & |
protein_crd, |
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utility::vector1< core::Vector > const & |
protein_coarse_crd |
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private |
void protocols::simple_filters::ResidueDepthCalculator::get_pose_crd_and_index |
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core::pose::Pose const & |
pose, |
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utility::vector1< core::Vector > & |
protein_crd, |
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utility::vector1< core::Size > & |
coarse_index, |
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utility::vector1< core::Size > & |
res_id |
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utility::vector1< core::Real > protocols::simple_filters::ResidueDepthCalculator::get_scdepth |
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utility::vector1< bool > const & |
excluded_wat, |
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utility::vector1< core::Vector > const & |
protein_crd, |
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utility::vector1< core::Size > const & |
res_id |
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private |
core::Real protocols::simple_filters::ResidueDepthCalculator::get_scdepth_avrg |
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core::Size const |
ires | ) |
const |
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inline |
utility::vector1< core::Real > protocols::simple_filters::ResidueDepthCalculator::get_scdepth_avrg |
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const |
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inline |
utility::vector1< core::Real > protocols::simple_filters::ResidueDepthCalculator::get_scdepth_fvar |
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const |
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inline |
utility::vector1< core::Real > protocols::simple_filters::ResidueDepthCalculator::get_scdepth_sdev |
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const |
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inline |
void protocols::simple_filters::ResidueDepthCalculator::initialize |
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void protocols::simple_filters::ResidueDepthCalculator::niter |
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core::Size const |
value | ) |
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inline |
core::Size protocols::simple_filters::ResidueDepthCalculator::nres |
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const |
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void protocols::simple_filters::ResidueDepthCalculator::pert_protein |
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utility::vector1< core::Vector > & |
protein_crd | ) |
const |
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utility::vector1< Vector > protocols::simple_filters::ResidueDepthCalculator::quat2U |
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core::Vector const & |
quat3, |
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core::Real const & |
quatw |
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utility::vector1< Vector > protocols::simple_filters::ResidueDepthCalculator::read_unit_waterbox |
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core::Vector & |
boxwidth | ) |
const |
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void protocols::simple_filters::ResidueDepthCalculator::report_crd |
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bool const |
value | ) |
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void protocols::simple_filters::ResidueDepthCalculator::set_dcut1 |
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core::Real const |
value | ) |
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void protocols::simple_filters::ResidueDepthCalculator::set_dcut2 |
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core::Real const |
value | ) |
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bool protocols::simple_filters::ResidueDepthCalculator::stack_and_getaverage |
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utility::vector1< utility::vector1< core::Real > > & |
sc_depth_stack, |
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utility::vector1< core::Real > const & |
sc_depth, |
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core::Size const |
niter |
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| const |
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core::Real protocols::simple_filters::ResidueDepthCalculator::dcut1_ |
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core::Real protocols::simple_filters::ResidueDepthCalculator::dcut2_ |
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core::Size protocols::simple_filters::ResidueDepthCalculator::niter_ |
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core::Size protocols::simple_filters::ResidueDepthCalculator::nres_ = 0 |
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mutableprivate |
bool protocols::simple_filters::ResidueDepthCalculator::report_crd_ |
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utility::vector1< core::Real > protocols::simple_filters::ResidueDepthCalculator::sc_depth_avrg_ |
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utility::vector1< core::Real > protocols::simple_filters::ResidueDepthCalculator::sc_depth_fvar_ |
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utility::vector1< core::Real > protocols::simple_filters::ResidueDepthCalculator::sc_depth_sdev_ |
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bool protocols::simple_filters::ResidueDepthCalculator::use_bb_ |
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bool protocols::simple_filters::ResidueDepthCalculator::use_sc_ |
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utility::vector1< core::Vector > protocols::simple_filters::ResidueDepthCalculator::waterbox_ |
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mutableprivate |
std::string protocols::simple_filters::ResidueDepthCalculator::waterbox_file_ |
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private |
The documentation for this class was generated from the following files: