26 #ifndef vtkXYZMolReader_h
27 #define vtkXYZMolReader_h
29 #include "vtkIOGeometryModule.h"
51 vtkSetMacro(TimeStep,
int);
52 vtkGetMacro(TimeStep,
int);
59 vtkGetMacro(MaxTimeStep,
int);
76 int GetAtom(
const char* line,
char* atom,
float* x);
80 vtkSetMacro(MaxTimeStep,
int);
a simple class to control print indentation
read Molecular Data files
read Molecular Data files
static vtkXYZMolReader * New()
char * GetNextLine(FILE *fp, char *line, int maxlen)
Get next line that is not a comment.
virtual int CanReadFile(const char *name)
Test whether the file with the given name can be read by this reader.
int GetAtom(const char *line, char *atom, float *x)
void PrintSelf(ostream &os, vtkIndent indent) override
Methods invoked by print to print information about the object including superclasses.
void InsertAtom(const char *atom, float *pos)
~vtkXYZMolReader() override
int GetLine1(const char *line, int *cnt)
int GetLine2(const char *line, char *name)
void ReadSpecificMolecule(FILE *fp) override