loos::DensityTools::WaterFilterBase Class Reference

Base interface for water filter/picker. More...

#include <internal-water-filter.hpp>

Inheritance diagram for loos::DensityTools::WaterFilterBase:

Public Member Functions
virtual std::vector< int >	filter (const loos::AtomicGroup &, const loos::AtomicGroup &)=0
	Given a molecule and a set of waters, pick which waters are inside.
virtual std::vector< loos::GCoord >	boundingBox (const loos::AtomicGroup &)=0
	Calculate the appropriate bounding box (given the molecule)
virtual double	volume (void)=0
	Calculate the volume of the region we can pick waters from...
virtual std::string	name (void) const =0
	Just states the name of the filter/picker.

Protected Attributes
std::vector< loos::GCoord >	bdd_

Detailed Description

Base interface for water filter/picker.

Member Function Documentation

boundingBox()

virtual std::vector< loos::GCoord > loos::DensityTools::WaterFilterBase::boundingBox ( const loos::AtomicGroup & )

pure virtual

Calculate the appropriate bounding box (given the molecule)

Implemented in loos::DensityTools::WaterFilterBox, loos::DensityTools::WaterFilterRadius, loos::DensityTools::WaterFilterContacts, loos::DensityTools::WaterFilterAxis, loos::DensityTools::WaterFilterCore, loos::DensityTools::WaterFilterBlob, loos::DensityTools::ZClippedWaterFilter, loos::DensityTools::BulkedWaterFilter, and loos::DensityTools::WaterFilterDecorator.

filter()

virtual std::vector< int > loos::DensityTools::WaterFilterBase::filter ( const loos::AtomicGroup & , const loos::AtomicGroup &  )

pure virtual

Given a molecule and a set of waters, pick which waters are inside.

The result is a map of which waters are inside (1 = inside, 0 = not)

Implemented in loos::DensityTools::WaterFilterBox, loos::DensityTools::WaterFilterRadius, loos::DensityTools::WaterFilterContacts, loos::DensityTools::WaterFilterAxis, loos::DensityTools::WaterFilterCore, loos::DensityTools::WaterFilterBlob, loos::DensityTools::ZClippedWaterFilter, loos::DensityTools::BulkedWaterFilter, and loos::DensityTools::WaterFilterDecorator.

name()

virtual std::string loos::DensityTools::WaterFilterBase::name ( void ) const

pure virtual

Just states the name of the filter/picker.

Implemented in loos::DensityTools::WaterFilterBox, loos::DensityTools::WaterFilterRadius, loos::DensityTools::WaterFilterContacts, loos::DensityTools::WaterFilterAxis, loos::DensityTools::WaterFilterCore, loos::DensityTools::WaterFilterBlob, loos::DensityTools::WaterFilterDecorator, loos::DensityTools::ZClippedWaterFilter, and loos::DensityTools::BulkedWaterFilter.

volume()

virtual double loos::DensityTools::WaterFilterBase::volume ( void )

pure virtual

Calculate the volume of the region we can pick waters from...

Implemented in loos::DensityTools::WaterFilterBox, loos::DensityTools::WaterFilterRadius, loos::DensityTools::WaterFilterContacts, loos::DensityTools::WaterFilterAxis, loos::DensityTools::WaterFilterCore, loos::DensityTools::WaterFilterBlob, loos::DensityTools::WaterFilterDecorator, loos::DensityTools::ZClippedWaterFilter, and loos::DensityTools::BulkedWaterFilter.

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

• Packages/DensityTools/internal-water-filter.hpp