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AtomRep Class Reference

Parse and maintain the data for how a molecule should be represented. More...

#include <AtomRep.h>

List of all members.

Public Types
enum	RepMethod {   LINES, BONDS, DYNAMICBONDS, HBONDS,   POINTS, VDW, CPK, LICORICE,   TRACE, TUBE, RIBBONS, NEWRIBBONS,   STRUCTURE, NEWCARTOON, MSMS, SURF,   VOLSLICE, ISOSURFACE, BEADS, DOTTED,   SOLVENT, TOTAL }
enum	RepDataNames {   SPHERERAD, BONDRAD, SPHERERES, BONDRES,   LINETHICKNESS, ISOSTEPSIZE, ISOLINETHICKNESS }
Public Methods
	AtomRep (void)
	AtomRep (AtomRep &ar)
	~AtomRep (void)
AtomRep &	operator= (const AtomRep &)
	equal operator, to change the current settings. More...
int	change (const char *newcmd)
	provide new settings. More...
int	method (void)
	return representation method. More...
bool	is_volumetric (void)
	return representation method. More...
float	get_data (int n)
	return value of Nth data item. More...
Public Attributes
char	cmdStr [MAX_ATOMREP_CMD+1]
	initial string with representation command. More...

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Detailed Description

Parse and maintain the data for how a molecule should be represented.

Definition at line 31 of file AtomRep.h.

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Member Enumeration Documentation

enum AtomRep::RepDataNames

Enumeration values: SPHERERAD  BONDRAD  SPHERERES  BONDRES  LINETHICKNESS  ISOSTEPSIZE  ISOLINETHICKNESS  Definition at line 58 of file AtomRep.h.

enum AtomRep::RepMethod

Enumeration values: LINES  BONDS  DYNAMICBONDS  HBONDS  POINTS  VDW  CPK  LICORICE  TRACE  TUBE  RIBBONS  NEWRIBBONS  STRUCTURE  NEWCARTOON  MSMS  SURF  VOLSLICE  ISOSURFACE  BEADS  DOTTED  SOLVENT  TOTAL  Definition at line 36 of file AtomRep.h.

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Constructor & Destructor Documentation

AtomRep::AtomRep (  void    )

Definition at line 328 of file AtomRep.C. References cmdStr, DEFAULT_ATOMREP, AtomRepDataInfo::defValue, AtomRepDataInfo::index, MAX_ATOMREP_DATA, AtomRepParamStruct::numdata, AtomRepParamStruct::repdata, and TOTAL.

AtomRep::AtomRep (  AtomRep &    ar )  [inline]

Definition at line 74 of file AtomRep.h.

AtomRep::~AtomRep (  void    )

Definition at line 344 of file AtomRep.C.

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Member Function Documentation

int AtomRep::change (  const char *    newcmd )  [inline]

provide new settings. Definition at line 81 of file AtomRep.h. Referenced by MoleculeList::change_repmethod, MoleculeList::set_default_representation, and MoleculeList::set_representation.

float AtomRep::get_data (  int    n )  [inline]

return value of Nth data item. Definition at line 103 of file AtomRep.h. Referenced by GraphicsFltkRepVolumeSlice::set_values, GraphicsFltkRepIsosurface::set_values, GraphicsFltkRepSurf::set_values, GraphicsFltkRepHBonds::set_values, GraphicsFltkRepMSMS::set_values, GraphicsFltkRepSolvent::set_values, GraphicsFltkRepNewCartoon::set_values, GraphicsFltkRepNewRibbons::set_values, GraphicsFltkRepRibbons::set_values, GraphicsFltkRepLicorice::set_values, GraphicsFltkRepVDW::set_values, GraphicsFltkRepPoints::set_values, GraphicsFltkRepCPK::set_values, GraphicsFltkRepDynamicBonds::set_values, GraphicsFltkRepBonds::set_values, and GraphicsFltkRepLines::set_values.

bool AtomRep::is_volumetric (  void    )  [inline]

return representation method. Definition at line 91 of file AtomRep.h. References ISOSURFACE, and VOLSLICE. Referenced by add_rep_to_browser, and GraphicsFltkMenu::update_rep.

int AtomRep::method (  void    )  [inline]

return representation method. Definition at line 88 of file AtomRep.h. Referenced by DrawMolItem::change_rep, DrawMolItem::prepare, and GraphicsFltkMenu::update_rep.

AtomRep & AtomRep::operator= (  const AtomRep &    )

equal operator, to change the current settings. Definition at line 419 of file AtomRep.C. References cmdStr, MAX_ATOMREP_DATA, repDataStorage, repMethod, and TOTAL.

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Member Data Documentation

char AtomRep::cmdStr[MAX_ATOMREP_CMD + 1]

initial string with representation command. Definition at line 61 of file AtomRep.h. Referenced by add_rep_to_browser, AtomRep, molinfo_get, VMDApp::molrep_get_style, operator=, and MoleculeList::representation.

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The documentation for this class was generated from the following files:

• AtomRep.h
• AtomRep.C

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