BALL::SurfaceProcessor Class Reference
[Molecular
Surface Computation]
SurfaceProcessor. More...
#include <surfaceProcessor.h>
Inheritance diagram for BALL::SurfaceProcessor:
[legend]
Public Types |
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Enums
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| enum | SurfaceType { SOLVENT_EXCLUDED_SURFACE, SOLVENT_ACCESSIBLE_SURFACE } |
Public Member Functions |
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Constructors and destructor.
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| SurfaceProcessor () | |
| Default constructor. |
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Processor-related methods.
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| virtual bool | start () |
| start method |
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| virtual bool | finish () |
| finish method |
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| virtual Processor::Result | operator() (Atom &atom) |
| operator () |
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Accessors.
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| const Surface & | getSurface () const |
| Surface & | getSurface () |
| void | setProbeRadius (double radius) throw (Exception::OutOfRange) |
| Sets the radius of the used probe
sphere. |
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| double | getProbeRadius () const |
| void | setDensity (double density) |
| double | getDensity () const |
| std::vector< TSphere3< double > > & | getSpheres () |
| void | setType (SurfaceType type) |
| Set the surface type to be computed.
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| SurfaceType | getType () const |
| Get the surface type to be
computed. |
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Protected Attributes |
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| double | radius_offset_ |
| double | vdw_factor_ |
| SurfaceType | surface_type_ |
| Surface | surface_ |
| std::vector< TSphere3< double > > | spheres_ |
| double | density_ |
| double | probe_radius_ |
Detailed Description
SurfaceProcessor.Member Function Documentation
| void BALL::SurfaceProcessor::setProbeRadius | ( | double | radius | ) | throw (Exception::OutOfRange) |
Sets the radius of the used probe sphere.
- Exceptions:
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Exception::OutOfRange Specifying a radius <= 0 is illegal
| void BALL::SurfaceProcessor::setType | ( | SurfaceType | type | ) |
Set the surface type to be computed.
Default is SOLVENT_EXCLUDED_SURFACE.
