#include <SaltBridgeCalculator.hh>
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void | lookup (std::string const &key, basic::MetricValueBase *valptr) const override |
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std::string | print (std::string const &key) const override |
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void | recompute (core::pose::Pose const &this_pose) override |
| not sure why they name this function recompute as you are actually computing the metric. Whateva More...
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protocols::pose_metric_calculators::SaltBridgeCalculator::SaltBridgeCalculator |
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default constructor sets distance_cutoff to 3.2. This is what is usually defined as a Hbond between heavy atom and Hydrogen
protocols::pose_metric_calculators::SaltBridgeCalculator::SaltBridgeCalculator |
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core::Real |
dist_cutoff | ) |
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constructur where you define what the distance cutoff is for the salt bridge
void protocols::pose_metric_calculators::SaltBridgeCalculator::lookup |
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std::string const & |
key, |
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basic::MetricValueBase * |
valptr |
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overrideprotectedvirtual |
std::string protocols::pose_metric_calculators::SaltBridgeCalculator::print |
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std::string const & |
key | ) |
const |
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overrideprotectedvirtual |
void protocols::pose_metric_calculators::SaltBridgeCalculator::recompute |
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core::pose::Pose const & |
this_pose | ) |
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overrideprotectedvirtual |
core::Real protocols::pose_metric_calculators::SaltBridgeCalculator::distance_cutoff_ |
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private |
core::Size protocols::pose_metric_calculators::SaltBridgeCalculator::salt_bridge_total_ |
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private |
The documentation for this class was generated from the following files: