OE3DMolStyle

class OE3DMolStyle

This class represents OE3DMolStyle.

The OE3DMolStyle class is the abstract interface for representing a 3D molecule style within OEChem.

Constructors

OE3DMolStyle()
OE3DMolStyle(const OE3DMolStyle &other)

Default and copy constructors.

operator<

bool operator<(const OE3DMolStyle &rhs) const

operator=

OE3DMolStyle &operator=(const OE3DMolStyle &rhs)

operator==

bool operator==(const OE3DMolStyle &rhs) const

ClearAtomColorer

void ClearAtomColorer()

Clears the value of the atom color scheme set to the OE3DMolStyle.

ClearAtomLabelColorer

void ClearAtomLabelColorer()

Clears the value of the color set for the atom label of the OE3DMolStyle.

ClearAtomLabelDataTag

void ClearAtomLabelDataTag()

Clears the value of the data tag set for the atom label of the OE3DMolStyle.

ClearAtomLabelText

void ClearAtomLabelText()

Clears the value of the text set for the atom label of the OE3DMolStyle.

ClearAtomLabelType

void ClearAtomLabelType()

Clears the value of the lable type set for the atoms of the OE3DMolStyle.

ClearAtomStyle

void ClearAtomStyle()

Clears the value of the atom type set for the OE3DMolStyle.

ClearContourStyle

void ClearContourStyle()

Clears the value of the contour type set for the OE3DMolStyle.

ClearGridContourColorer

void ClearGridContourColorer()

Clears the value of the contour type set for the OE3DMolStyle.

ClearGridType

void ClearGridType()

Clears the value of the grid type set for the OE3DMolStyle.

ClearHydrogenVisibility

void ClearHydrogenVisibility()

Clears the value of the hydrogen visibility set for the OE3DMolStyle.

ClearInteractionStyle

void ClearInteractionStyle()

Clears the value of the interaction style set for the OE3DMolStyle.

ClearProteinColorer

void ClearProteinColorer()

Clears the value of the color set for the proteins of the OE3DMolStyle.

ClearProteinStyle

void ClearProteinStyle()

Clears the value of the style set for the proteins of the OE3DMolStyle.

ClearSurfaceAlpha

void ClearSurfaceAlpha()

Clears the value of the surface alpha set for the OE3DMolStyle.

ClearSurfaceColorer

void ClearSurfaceColorer()

Clears the value of the color set for the surface of the OE3DMolStyle.

ClearSurfaceStyle

void ClearSurfaceStyle()

Clears the value of the cstyle set for the surface of the OE3DMolStyle.

ClearSurfaceType

void ClearSurfaceType()

Clears the value of the surface type for the OE3DMolStyle.

FromString

bool FromString(const std::string &str)

GetAtomColorer

const OEMolStyleColorer &GetAtomColorer() const

Returns an OEMolStyleColorer that specifies the color of the atoms set in the OE3DMolStyle.

GetAtomLabelColorer

const OEMolStyleColorer &GetAtomLabelColorer() const

Returns an OEMolStyleColorer that specifies the color of the atom label set in the OE3DMolStyle.

GetAtomLabelDataTag

std::string GetAtomLabelDataTag() const

Returns a string that specifies the data tag of the atom label set in the OE3DMolStyle.

GetAtomLabelPrecision

unsigned int GetAtomLabelPrecision() const

Returns an integer that correlates to the precision of the atom label set in the OE3DMolStyle.

GetAtomLabelText

std::string GetAtomLabelText() const

Returns a string of the atom label specified in the OE3DMolStyle.

GetAtomLabelType

unsigned int GetAtomLabelType() const

Returns an integer that specifies the atom label type set in the OE3DMolStyle.

GetAtomStyle

unsigned int GetAtomStyle() const

Returns an integer that specifies the atom style set in the OE3DMolStyle.

GetContourStyle

unsigned int GetContourStyle() const

Returns an integer that specifies the contour style set in the OE3DMolStyle.

GetGridContourColorer

const OEMolStyleColorer &GetGridContourColorer() const

Returns an OEMolStyleColorer that specifies the color scheme of the grid contour set in the OE3DMolStyle.

GetGridType

unsigned int GetGridType() const

Returns an integer that specifies the grid type set in the OE3DMolStyle.

GetHydrogenVisibility

unsigned int GetHydrogenVisibility() const

Returns an integer that specifies the hydrogen visibility set in the OE3DMolStyle.

GetInteractionStyle

unsigned int GetInteractionStyle() const

Returns an integer that specifies the interaction style set in the OE3DMolStyle.

GetProteinColorer

const OEMolStyleColorer &GetProteinColorer() const

Returns an OEMolStyleColorer that specifies the color scheme of the proteins set in the OE3DMolStyle.

GetProteinStyle

unsigned int GetProteinStyle() const

Returns an integer that specifies the protein style set in the OE3DMolStyle.

GetString

std::string GetString() const

GetSurfaceAlpha

unsigned int GetSurfaceAlpha() const

Returns an integer that specifies the surface alpha set in the OE3DMolStyle.

GetSurfaceColorer

const OEMolStyleColorer &GetSurfaceColorer() const

Returns an OEMolStyleColorer that specifies the color scheme of the surface set in the OE3DMolStyle.

GetSurfaceStyle

unsigned int GetSurfaceStyle() const

Returns an integer that specifies the surface style set in the OE3DMolStyle.

GetSurfaceType

unsigned int GetSurfaceType() const

Returns an integer that specifies the surface type set in the OE3DMolStyle.

HasAtomColorer

bool HasAtomColorer() const

Return a boolean indicated whether the OE3DMolStyle has a set atom colorer.

HasAtomLabelColorer

bool HasAtomLabelColorer() const

Return a boolean indicated whether the OE3DMolStyle has a set atom label colorer.

HasAtomLabelDataTag

bool HasAtomLabelDataTag() const

Return a boolean indicated whether the OE3DMolStyle has a set atom label data tag.

HasAtomLabelText

bool HasAtomLabelText() const

Return a boolean indicated whether the OE3DMolStyle has a set atom label text.

HasAtomLabelType

bool HasAtomLabelType() const

Return a boolean indicated whether the OE3DMolStyle has a set atom label type.

HasAtomStyle

bool HasAtomStyle() const

Return a boolean indicated whether the OE3DMolStyle has a set atom style.

HasContourStyle

bool HasContourStyle() const

Return a boolean indicated whether the OE3DMolStyle has a set contour style.

HasGridContourColorer

bool HasGridContourColorer() const

Return a boolean indicated whether the OE3DMolStyle has a set grid contour colorer.

HasGridType

bool HasGridType() const

Return a boolean indicated whether the OE3DMolStyle has a set grid type.

HasHydrogenVisibility

bool HasHydrogenVisibility() const

Return a boolean indicated whether the OE3DMolStyle has a set hydrogen visibility.

HasInteractionStyle

bool HasInteractionStyle() const

Return a boolean indicated whether the OE3DMolStyle has a set interaction style.

HasProteinColorer

bool HasProteinColorer() const

Return a boolean indicated whether the OE3DMolStyle has a set protein colorer.

HasProteinStyle

bool HasProteinStyle() const

Return a boolean indicated whether the OE3DMolStyle has a set protein style.

HasSurfaceAlpha

bool HasSurfaceAlpha() const

Return a boolean indicated whether the OE3DMolStyle has a set surface alpha.

HasSurfaceColorer

bool HasSurfaceColorer() const

Return a boolean indicated whether the OE3DMolStyle has a set surface colorer.

HasSurfaceStyle

bool HasSurfaceStyle() const

Return a boolean indicated whether the OE3DMolStyle has a set surfacestyle.

HasSurfaceType

bool HasSurfaceType() const

Return a boolean indicated whether the OE3DMolStyle has a set surface type.

IsValid

bool IsValid() const

Return a boolean indicated whether the OE3DMolStyle is valid or not.

SetAtomColorer

OE3DMolStyle &SetAtomColorer(const OEMolStyleColorer &colorer)

Sets the atom colorer for the OE3DMolStyle.

See also

SetAtomLabelColorer

OE3DMolStyle &SetAtomLabelColorer(const OEMolStyleColorer &colorer)

Sets the atom label colorer for the OE3DMolStyle.

See also

SetAtomLabelDataTag

OE3DMolStyle &SetAtomLabelDataTag(const std::string &tag,
                                  unsigned int precision=0)

Sets the atom label data tage and percision for the OE3DMolStyle.

SetAtomLabelText

OE3DMolStyle &SetAtomLabelText(const std::string &label)

Sets the atom label text for the OE3DMolStyle.

SetAtomLabelType

OE3DMolStyle &SetAtomLabelType(unsigned int labelData,
                               unsigned int precision=0)

Sets the atom label type and precision for the OE3DMolStyle.

SetAtomStyle

OE3DMolStyle &SetAtomStyle(unsigned int displayStyle)

Sets the atom style for the OE3DMolStyle.

See also

SetContourStyle

OE3DMolStyle &SetContourStyle(unsigned int displayStyle)

Sets the contour style for the OE3DMolStyle.

See also

SetGridContourColorer

OE3DMolStyle &SetGridContourColorer(const OEMolStyleColorer &colorer)

Sets the grid contour colorer for the OE3DMolStyle.

See also

SetGridType

OE3DMolStyle &SetGridType(unsigned int gridType)

Sets the grid type for the OE3DMolStyle.

See also

SetHydrogenVisibility

OE3DMolStyle &SetHydrogenVisibility(unsigned int mode)

Sets the hydrogen visibility for the OE3DMolStyle.

See also

SetInteractionStyle

OE3DMolStyle &SetInteractionStyle(unsigned int mode)

Sets the interaction style for the OE3DMolStyle.

See also

SetProteinColorer

OE3DMolStyle &SetProteinColorer(const OEMolStyleColorer &colorer)

Sets the protein colorer for the OE3DMolStyle.

See also

SetProteinStyle

OE3DMolStyle &SetProteinStyle(unsigned int displayStyle)

Sets the protein style for the OE3DMolStyle.

See also

SetSurfaceAlpha

OE3DMolStyle &SetSurfaceAlpha(unsigned int alpha)

Sets the surface alpha for the OE3DMolStyle.

SetSurfaceColorer

OE3DMolStyle &SetSurfaceColorer(const OEMolStyleColorer &colorer)

Sets the surface colorer for the OE3DMolStyle.

See also

SetSurfaceStyle

OE3DMolStyle &SetSurfaceStyle(unsigned int displayStyle)

Sets the surface style for the OE3DMolStyle.

See also

SetSurfaceType

OE3DMolStyle &SetSurfaceType(unsigned int surfaceType)

Sets the surface type for the OE3DMolStyle.

See also

See also