27 #ifndef vtkMoleculeReaderBase_h
28 #define vtkMoleculeReaderBase_h
30 #include "vtkIOChemistryModule.h"
50 vtkSetFilePathMacro(FileName);
51 vtkGetFilePathMacro(FileName);
57 vtkSetMacro(BScale,
double);
58 vtkGetMacro(BScale,
double);
65 vtkSetMacro(HBScale,
double);
66 vtkGetMacro(HBScale,
double);
77 vtkGetMacro(NumberOfModels,
unsigned int);
110 unsigned int MakeAtomType(
const char* atomType);
138 virtual void ReadSpecificMolecule(FILE* fp) = 0;
Access to information about the elements.
dynamic, self-adjusting array of unsigned int
unsigned int NumberOfModels
class describing a molecule
virtual int RequestData(vtkInformation *request, vtkInformationVector **inputVector, vtkInformationVector *outputVector)
This is called by the superclass.
vtkSmartPointer< vtkFloatArray > Radii
dynamic, self-adjusting array of float
a vtkAbstractArray subclass for strings
Read molecular data files.
dynamic, self-adjusting array of vtkIdType
concrete dataset represents vertices, lines, polygons, and triangle strips
vtkSmartPointer< vtkIdTypeArray > Residue
vtkSmartPointer< vtkUnsignedIntArray > Model
vtkSmartPointer< vtkIdTypeArray > AtomType
Superclass for algorithms that produce only polydata as output.
vtkSmartPointer< vtkUnsignedCharArray > Chain
a simple class to control print indentation
vtkSmartPointer< vtkUnsignedCharArray > SecondaryStructures
abstract superclass for arrays of numeric data
vtkSmartPointer< vtkUnsignedCharArray > IsHetatm
vtkNew< vtkPeriodicTable > PeriodicTable
dynamic, self-adjusting array of unsigned char
vtkSmartPointer< vtkUnsignedCharArray > RGB
object to represent cell connectivity
vtkSmartPointer< vtkUnsignedCharArray > SecondaryStructuresEnd
vtkSmartPointer< vtkPoints > Points
int FillOutputPortInformation(int port, vtkInformation *info) override
Fill the output port information objects for this algorithm.
vtkSmartPointer< vtkMolecule > Molecule
vtkSmartPointer< vtkStringArray > AtomTypeStrings
vtkSmartPointer< vtkUnsignedCharArray > SecondaryStructuresBegin
represent and manipulate 3D points
void PrintSelf(ostream &os, vtkIndent indent) override
Methods invoked by print to print information about the object including superclasses.