29 #ifndef vtkXYZMolReader_h
30 #define vtkXYZMolReader_h
32 #include "vtkIOChemistryModule.h"
54 vtkSetMacro(TimeStep,
int);
55 vtkGetMacro(TimeStep,
int);
62 vtkGetMacro(MaxTimeStep,
int);
75 char* GetNextLine(FILE* fp,
char* line,
int maxlen);
77 int GetLine1(
const char* line,
int* cnt);
78 int GetLine2(
const char* line,
char*
name);
79 int GetAtom(
const char* line,
char* atom,
float* x);
81 void InsertAtom(
const char* atom,
float* pos);
83 vtkSetMacro(MaxTimeStep,
int);
void PrintSelf(ostream &os, vtkIndent indent) override
Methods invoked by print to print information about the object including superclasses.
Read molecular data files.
virtual void ReadSpecificMolecule(FILE *fp)=0
static vtkPolyDataAlgorithm * New()
read Molecular Data files
a simple class to control print indentation