Rosetta Protocols  2014.35
Public Member Functions | Public Attributes | Friends | List of all members
protocols::pockets::DelphiElectrostatics Class Reference

#include <DarcElectrostatics.hh>

Public Member Functions

 DelphiElectrostatics ()
 
void setup_from_DelphiGrid (std::string const &input_filename, Size const &esp_grid_size, core::Real const &esp_grid_spacing, core::Real const &esp_grid_midpoint_x, core::Real const &esp_grid_midpoint_y, core::Real const &esp_grid_midpoint_z)
 
core::Real get_electrostatics_energy (core::pose::Pose const &ligand_pose)
 
- Public Member Functions inherited from protocols::pockets::DarcElectrostaticsBase
 DarcElectrostaticsBase ()
 

Public Attributes

core::Real grid_spacing_
 
std::list< utility::vector1
< core::Real > > 
esp_grid_point_list_
 

Friends

class FingerprintMultifunc
 

Constructor & Destructor Documentation

protocols::pockets::DelphiElectrostatics::DelphiElectrostatics ( )
inline

Member Function Documentation

core::Real protocols::pockets::DelphiElectrostatics::get_electrostatics_energy ( core::pose::Pose const &  ligand_pose)
void protocols::pockets::DelphiElectrostatics::setup_from_DelphiGrid ( std::string const &  input_filename,
Size const &  esp_grid_size,
core::Real const &  esp_grid_spacing,
core::Real const &  esp_grid_midpoint_x,
core::Real const &  esp_grid_midpoint_y,
core::Real const &  esp_grid_midpoint_z 
)

Friends And Related Function Documentation

friend class FingerprintMultifunc
friend

Member Data Documentation

std::list< utility::vector1<core::Real> > protocols::pockets::DelphiElectrostatics::esp_grid_point_list_
core::Real protocols::pockets::DelphiElectrostatics::grid_spacing_

The documentation for this class was generated from the following files: