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26 #ifndef vtkMoleculeReaderBase_h
27 #define vtkMoleculeReaderBase_h
29 #include "vtkIOGeometryModule.h"
47 vtkSetStringMacro(FileName);
48 vtkGetStringMacro(FileName);
54 vtkSetMacro(BScale,
double);
55 vtkGetMacro(BScale,
double);
62 vtkSetMacro(HBScale,
double);
63 vtkGetMacro(HBScale,
double);
66 vtkGetMacro(NumberOfAtoms,
int);
81 int MakeAtomType(
const char *atype);
97 virtual void ReadSpecificMolecule(FILE* fp) = 0;
represent and manipulate 3D points
vtkUnsignedCharArray * SecondaryStructuresBegin
dynamic, self-adjusting array of float
vtkUnsignedCharArray * SecondaryStructuresEnd
dynamic, self-adjusting array of unsigned char
int FillOutputPortInformation(int port, vtkInformation *info) override
Fill the output port information objects for this algorithm.
vtkStringArray * AtomTypeStrings
abstract superclass for arrays of numeric data
void PrintSelf(ostream &os, vtkIndent indent) override
Methods invoked by print to print information about the object including superclasses.
read Molecular Data files
vtkUnsignedCharArray * Chain
vtkUnsignedCharArray * RGB
vtkIdTypeArray * AtomType
virtual int RequestData(vtkInformation *request, vtkInformationVector **inputVector, vtkInformationVector *outputVector)
This is called by the superclass.
vtkUnsignedCharArray * SecondaryStructures
a simple class to control print indentation
object to represent cell connectivity
class describing a molecule
dynamic, self-adjusting array of vtkIdType
concrete dataset represents vertices, lines, polygons, and triangle strips
a vtkAbstractArray subclass for strings
vtkUnsignedCharArray * IsHetatm
Superclass for algorithms that produce only polydata as output.