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