LOOS 4.1.0
The Lightweight Object Oriented Structural analysis library/toolkit
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Restrict waters to be within a given z-range. More...
#include <internal-water-filter.hpp>
Public Member Functions | |
ZClippedWaterFilter (WaterFilterBase *p, const double zmin, const double zmax) | |
std::string | name (void) const |
Just states the name of the filter/picker. | |
std::vector< int > | filter (const loos::AtomicGroup &, const loos::AtomicGroup &) |
Given a molecule and a set of waters, pick which waters are inside. | |
std::vector< loos::GCoord > | boundingBox (const loos::AtomicGroup &) |
Calculate the appropriate bounding box (given the molecule) | |
double | volume (void) |
Calculate the volume of the region we can pick waters from... | |
Public Member Functions inherited from loos::DensityTools::WaterFilterDecorator | |
WaterFilterDecorator (WaterFilterBase *p) | |
Additional Inherited Members | |
Protected Attributes inherited from loos::DensityTools::WaterFilterBase | |
std::vector< loos::GCoord > | bdd_ |
Restrict waters to be within a given z-range.
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virtual |
Calculate the appropriate bounding box (given the molecule)
Reimplemented from loos::DensityTools::WaterFilterDecorator.
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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)
Reimplemented from loos::DensityTools::WaterFilterDecorator.
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virtual |
Just states the name of the filter/picker.
Reimplemented from loos::DensityTools::WaterFilterDecorator.
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inlinevirtual |
Calculate the volume of the region we can pick waters from...
Reimplemented from loos::DensityTools::WaterFilterDecorator.