Chemical Data Processing Library Python API - Version 1.1.1
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Provides keys for built-in control-parameters. More...
Static Public Attributes | |
ALIGNMENT = CDPL.Base.LookupKey('ALIGNMENT') | |
Specifies the alignment of a 2D depiction within the viewport area. More... | |
ATOM_COLOR = CDPL.Base.LookupKey('ATOM_COLOR') | |
Specifies the color of atom labels. More... | |
ATOM_COLOR_TABLE = CDPL.Base.LookupKey('ATOM_COLOR_TABLE') | |
Specifies a lookup table for the atom type dependent coloring of atom labels. More... | |
RADICAL_ELECTRON_DOT_SIZE = CDPL.Base.LookupKey('RADICAL_ELECTRON_DOT_SIZE') | |
Specifies the size of radical electron dots. More... | |
ATOM_LABEL_FONT = CDPL.Base.LookupKey('ATOM_LABEL_FONT') | |
Specifies the font for atom element and query match expression labels. More... | |
ATOM_LABEL_MARGIN = CDPL.Base.LookupKey('ATOM_LABEL_MARGIN') | |
Specifies the margin of free space around atom labels. More... | |
ATOM_LABEL_SIZE = CDPL.Base.LookupKey('ATOM_LABEL_SIZE') | |
Specifies the size of atom element and query match expression labels. More... | |
SECONDARY_ATOM_LABEL_FONT = CDPL.Base.LookupKey('SECONDARY_ATOM_LABEL_FONT') | |
Specifies the font for text labels that show the value of various atomic properties. More... | |
SECONDARY_ATOM_LABEL_SIZE = CDPL.Base.LookupKey('SECONDARY_ATOM_LABEL_SIZE') | |
Specifies the size of text labels that show the value of various atomic properties. More... | |
BACKGROUND_COLOR = CDPL.Base.LookupKey('BACKGROUND_COLOR') | |
Specifies the color with which the drawing area is erased before rendering any graphical primitives. More... | |
BOND_COLOR = CDPL.Base.LookupKey('BOND_COLOR') | |
Specifies the color of bonds. More... | |
BOND_LABEL_FONT = CDPL.Base.LookupKey('BOND_LABEL_FONT') | |
Specifies the font for bond labels. More... | |
BOND_LABEL_MARGIN = CDPL.Base.LookupKey('BOND_LABEL_MARGIN') | |
Specifies the margin of free space around bond labels. More... | |
BOND_LABEL_SIZE = CDPL.Base.LookupKey('BOND_LABEL_SIZE') | |
Specifies the size of bond labels. More... | |
BOND_LENGTH = CDPL.Base.LookupKey('BOND_LENGTH') | |
Specifies the desired average bond length for the visualization of chemical structures. More... | |
BOND_LINE_SPACING = CDPL.Base.LookupKey('BOND_LINE_SPACING') | |
Specifies the distance between the lines of double and triple bonds. More... | |
BOND_LINE_WIDTH = CDPL.Base.LookupKey('BOND_LINE_WIDTH') | |
Specifies the width of bond lines. More... | |
REACTION_CENTER_LINE_LENGTH = CDPL.Base.LookupKey('REACTION_CENTER_LINE_LENGTH') | |
Specifies the length of the lines in reaction center marks. More... | |
REACTION_CENTER_LINE_SPACING = CDPL.Base.LookupKey('REACTION_CENTER_LINE_SPACING') | |
Specifies the distance between the lines in reaction center marks. More... | |
STEREO_BOND_HASH_SPACING = CDPL.Base.LookupKey('STEREO_BOND_HASH_SPACING') | |
Specifies the distance between the hashes of down stereo bonds. More... | |
STEREO_BOND_WEDGE_WIDTH = CDPL.Base.LookupKey('STEREO_BOND_WEDGE_WIDTH') | |
Specifies the width of wedge-shaped stereo bonds. More... | |
DOUBLE_BOND_TRIM_LENGTH = CDPL.Base.LookupKey('DOUBLE_BOND_TRIM_LENGTH') | |
Specifies the amount by which the non-central lines of asymmetric double bonds have to be trimmed at each line end. More... | |
REACTION_AGENT_ALIGNMENT = CDPL.Base.LookupKey('REACTION_AGENT_ALIGNMENT') | |
Specifies the vertical alignment of reaction agents relative to the reaction arrow. More... | |
REACTION_AGENT_LAYOUT = CDPL.Base.LookupKey('REACTION_AGENT_LAYOUT') | |
Specifies the reaction agent layout style. More... | |
REACTION_AGENT_LAYOUT_DIRECTION = CDPL.Base.LookupKey('REACTION_AGENT_LAYOUT_DIRECTION') | |
Specifies the reaction agent layout direction. More... | |
REACTION_ARROW_COLOR = CDPL.Base.LookupKey('REACTION_ARROW_COLOR') | |
Specifies the color of reaction arrows. More... | |
REACTION_ARROW_HEAD_LENGTH = CDPL.Base.LookupKey('REACTION_ARROW_HEAD_LENGTH') | |
Specifies the head length of reaction arrows. More... | |
REACTION_ARROW_HEAD_WIDTH = CDPL.Base.LookupKey('REACTION_ARROW_HEAD_WIDTH') | |
Specifies the head width of reaction arrows. More... | |
REACTION_ARROW_LENGTH = CDPL.Base.LookupKey('REACTION_ARROW_LENGTH') | |
Specifies the length of reaction arrows. More... | |
REACTION_ARROW_LINE_WIDTH = CDPL.Base.LookupKey('REACTION_ARROW_LINE_WIDTH') | |
Specifies the width of reaction arrow outlines. More... | |
REACTION_ARROW_SHAFT_WIDTH = CDPL.Base.LookupKey('REACTION_ARROW_SHAFT_WIDTH') | |
Specifies the shaft width of reaction arrows. More... | |
REACTION_ARROW_STYLE = CDPL.Base.LookupKey('REACTION_ARROW_STYLE') | |
Specifies the style of reaction arrows. More... | |
REACTION_COMPONENT_LAYOUT = CDPL.Base.LookupKey('REACTION_COMPONENT_LAYOUT') | |
Specifies the layout style of reaction products and reactants. More... | |
REACTION_COMPONENT_LAYOUT_DIRECTION = CDPL.Base.LookupKey('REACTION_COMPONENT_LAYOUT_DIRECTION') | |
Specifies the layout direction of reaction products and reactants. More... | |
REACTION_COMPONENT_MARGIN = CDPL.Base.LookupKey('REACTION_COMPONENT_MARGIN') | |
Specifies the amount of free space that is added horizontally and vertically to the bounds of a reaction component. More... | |
REACTION_PLUS_SIGN_COLOR = CDPL.Base.LookupKey('REACTION_PLUS_SIGN_COLOR') | |
Specifies the color of reaction component '+' signs. More... | |
REACTION_PLUS_SIGN_LINE_WIDTH = CDPL.Base.LookupKey('REACTION_PLUS_SIGN_LINE_WIDTH') | |
Specifies the line width of reaction component '+' signs. More... | |
REACTION_PLUS_SIGN_SIZE = CDPL.Base.LookupKey('REACTION_PLUS_SIGN_SIZE') | |
Specifies the size of reaction component '+' signs. More... | |
SHOW_REACTION_REACTANTS = CDPL.Base.LookupKey('SHOW_REACTION_REACTANTS') | |
Specifies whether or not to show the reactants of a reaction. More... | |
SHOW_REACTION_AGENTS = CDPL.Base.LookupKey('SHOW_REACTION_AGENTS') | |
Specifies whether or not to show the agents of a reaction. More... | |
SHOW_REACTION_PRODUCTS = CDPL.Base.LookupKey('SHOW_REACTION_PRODUCTS') | |
Specifies whether or not to show the products of a reaction. More... | |
SHOW_CHARGES = CDPL.Base.LookupKey('SHOW_CHARGES') | |
Specifies whether or not to show the formal charge of atoms. More... | |
SHOW_HYDROGEN_COUNTS = CDPL.Base.LookupKey('SHOW_HYDROGEN_COUNTS') | |
Specifies whether or not to show the implicit hydrogen count of connected atoms. More... | |
SHOW_ISOTOPES = CDPL.Base.LookupKey('SHOW_ISOTOPES') | |
Specifies whether or not to show the isotopic mass of atoms. More... | |
SHOW_NON_CARBON_HYDROGEN_COUNTS = CDPL.Base.LookupKey('SHOW_NON_CARBON_HYDROGEN_COUNTS') | |
Specifies whether or not to show the implicit hydrogen count of connected non-carbon atoms. More... | |
SHOW_ATOM_QUERY_INFOS = CDPL.Base.LookupKey('SHOW_ATOM_QUERY_INFOS') | |
Specifies whether or not to show query atom match expressions. More... | |
SHOW_RADICAL_ELECTRONS = CDPL.Base.LookupKey('SHOW_RADICAL_ELECTRONS') | |
Specifies whether or not to draw radical electron dots. More... | |
SHOW_ATOM_REACTION_INFOS = CDPL.Base.LookupKey('SHOW_ATOM_REACTION_INFOS') | |
Specifies whether or not to show reaction atom-atom mapping numbers. More... | |
SHOW_BOND_QUERY_INFOS = CDPL.Base.LookupKey('SHOW_BOND_QUERY_INFOS') | |
Specifies whether or not to show query bond match expressions. More... | |
SHOW_BOND_REACTION_INFOS = CDPL.Base.LookupKey('SHOW_BOND_REACTION_INFOS') | |
Specifies whether or not to draw reaction center marks. More... | |
SHOW_STEREO_BONDS = CDPL.Base.LookupKey('SHOW_STEREO_BONDS') | |
Specifies whether or not to draw stereo bonds. More... | |
SHOW_CARBONS = CDPL.Base.LookupKey('SHOW_CARBONS') | |
Specifies whether or not to show the element label of carbon atoms. More... | |
SHOW_EXPLICIT_HYDROGENS = CDPL.Base.LookupKey('SHOW_EXPLICIT_HYDROGENS') | |
Specifies whether or not to show explicit hydrogen atoms. More... | |
SIZE_ADJUSTMENT = CDPL.Base.LookupKey('SIZE_ADJUSTMENT') | |
Specifies how to adjust the size of a 2D depiction relative to the available viewport area. More... | |
TRIPLE_BOND_TRIM_LENGTH = CDPL.Base.LookupKey('TRIPLE_BOND_TRIM_LENGTH') | |
Specifies the amount by which the non-central lines of triple bonds have to be trimmed at each line end. More... | |
USE_CALCULATED_ATOM_COORDINATES = CDPL.Base.LookupKey('USE_CALCULATED_ATOM_COORDINATES') | |
Specifies whether or not to use calculated atom coordinates for the visualization of chemical structures. More... | |
VIEWPORT = CDPL.Base.LookupKey('VIEWPORT') | |
Specifies a rectangular viewport area which constrains the location and size of 2D depictions. More... | |
SHOW_ATOM_CONFIGURATION_LABELS = CDPL.Base.LookupKey('SHOW_ATOM_CONFIGURATION_LABELS') | |
Specifies whether or not to show atom configuration descriptor labels. More... | |
ATOM_CONFIGURATION_LABEL_FONT = CDPL.Base.LookupKey('ATOM_CONFIGURATION_LABEL_FONT') | |
Specifies the font used for atom configuration descriptor text labels. More... | |
ATOM_CONFIGURATION_LABEL_SIZE = CDPL.Base.LookupKey('ATOM_CONFIGURATION_LABEL_SIZE') | |
Specifies the size of atom configuration descriptor text labels. More... | |
SHOW_BOND_CONFIGURATION_LABELS = CDPL.Base.LookupKey('SHOW_BOND_CONFIGURATION_LABELS') | |
Specifies whether or not to show bond configuration descriptor labels. More... | |
BOND_CONFIGURATION_LABEL_FONT = CDPL.Base.LookupKey('BOND_CONFIGURATION_LABEL_FONT') | |
Specifies the font used for bond configuration descriptor text labels. More... | |
BOND_CONFIGURATION_LABEL_SIZE = CDPL.Base.LookupKey('BOND_CONFIGURATION_LABEL_SIZE') | |
Specifies the size of bond configuration descriptor text labels. More... | |
Provides keys for built-in control-parameters.
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Specifies the alignment of a 2D depiction within the viewport area.
The alignment is specified by a combination of the flags defined in namespace Vis.Alignment. If ALIGNMENT
is left unspecified, the default alignment setting Vis.ControlParameterDefault.ALIGNMENT will be used.
Value Type: unsigned int
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Specifies the color of atom labels.
If ATOM_COLOR
is left unspecified and the properties Vis.MolecularGraphProperty.ATOM_COLOR and Vis.AtomProperty.COLOR are not set, the default color setting Vis.ControlParameterDefault.ATOM_COLOR will be used. If an atom color table has been specified by Vis.ControlParameter.ATOM_COLOR_TABLE or Vis.MolecularGraphProperty.ATOM_COLOR_TABLE and the property Vis.AtomProperty.COLOR is not set, the color provided by ATOM_COLOR
or Vis.MolecularGraphProperty.ATOM_COLOR will be used as a fallback for missing color table entries.
Value Type: Vis.Color
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Specifies a lookup table for the atom type dependent coloring of atom labels.
If the color for a particular atom type is missing, the color specified by Vis.ControlParameter.ATOM_COLOR or Vis.MolecularGraphProperty.ATOM_COLOR will be used.
Value Type: Vis.ColorTable.SharedPointer
ATOM_COLOR_TABLE
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Specifies the size of radical electron dots.
The dot size can either be specified as an absolute value or as a scaling factor for the primary label size given by Vis.ControlParameter.ATOM_LABEL_SIZE, Vis.MolecularGraphProperty.ATOM_LABEL_SIZE or Vis.AtomProperty.LABEL_SIZE. If input-scaling is enabled, the dot diameter will follow the size change of the chemical structure during bond length normalization. If output-scaling is enabled, the diameter will follow the size change of the chemical structure during viewport size adjustment. If the control-parameter is left unspecified and the properties Vis.MolecularGraphProperty.RADICAL_ELECTRON_DOT_SIZE and Vis.AtomProperty.RADICAL_ELECTRON_DOT_SIZE are not set, the default setting Vis.ControlParameterDefault.RADICAL_ELECTRON_DOT_SIZE will be used.
Value Type: Vis.SizeSpecification
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Specifies the font for atom element and query match expression labels.
If the control-parameter is left unspecified and the properties Vis.MolecularGraphProperty.ATOM_LABEL_FONT and Vis.AtomProperty.LABEL_FONT are not set, the default font Vis.ControlParameterDefault.ATOM_LABEL_FONT will be used.
Value Type: Vis.Font
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Specifies the margin of free space around atom labels.
The margin can either be specified as an absolute value or as a scaling factor for the primary label size given by Vis.ControlParameter.ATOM_LABEL_SIZE, Vis.MolecularGraphProperty.ATOM_LABEL_SIZE or Vis.AtomProperty.LABEL_SIZE. If input-scaling is enabled, the width of the margin will follow the size change of the chemical structure during bond length normalization. If output-scaling is enabled, the label margin will follow the size change of the chemical structure during viewport size adjustment. If the control-parameter is left unspecified and the properties Vis.MolecularGraphProperty.ATOM_LABEL_MARGIN and Vis.AtomProperty.LABEL_MARGIN are not set, the default setting Vis.ControlParameterDefault.ATOM_LABEL_MARGIN will be used.
Value Type: Vis.SizeSpecification
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Specifies the size of atom element and query match expression labels.
The font size has to be specified as an absolute value. If input-scaling is enabled, the font size will follow the size change of the chemical structure during bond length normalization. If output-scaling is enabled, the font size will grow/shrink with the size of the chemical structure during viewport size adjustment. If the control-parameter is left unspecified and the properties Vis.MolecularGraphProperty.ATOM_LABEL_SIZE and Vis.AtomProperty.LABEL_SIZE are not set, the default setting Vis.ControlParameterDefault.ATOM_LABEL_SIZE will be used.
Value Type: Vis.SizeSpecification
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Specifies the font for text labels that show the value of various atomic properties.
If the control-parameter is left unspecified and the properties Vis.MolecularGraphProperty.SECONDARY_ATOM_LABEL_FONT and Vis.AtomProperty.SECONDARY_LABEL_FONT are not set, the default setting Vis.ControlParameterDefault.SECONDARY_ATOM_LABEL_FONT will be used.
Value Type: Vis.Font
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Specifies the size of text labels that show the value of various atomic properties.
The size can either be specified as an absolute value or as a scaling factor for the primary label size given by Vis.ControlParameter.ATOM_LABEL_SIZE, Vis.MolecularGraphProperty.ATOM_LABEL_SIZE or Vis.AtomProperty.LABEL_SIZE. If input-scaling is enabled, the size of the font will follow the size change of the chemical structure during bond length normalization. If output-scaling is enabled, the font size will follow the size change of the chemical structure during viewport size adjustment. If the control-parameter is left unspecified and the properties Vis.MolecularGraphProperty.SECONDARY_ATOM_LABEL_SIZE and Vis.AtomProperty.SECONDARY_LABEL_SIZE are not set, the default setting Vis.ControlParameterDefault.SECONDARY_ATOM_LABEL_SIZE will be used.
Value Type: Vis.SizeSpecification
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Specifies the color with which the drawing area is erased before rendering any graphical primitives.
The area which gets ereased is either the viewport area specified by Vis.ControlParameter.VIEWPORT, or if Vis.ControlParameter.VIEWPORT is not defined, the total bounds of the graphical objects to render. If the control-parameter is left unspecified or Vis.Color.TRANSPARENT, the drawing area won't be erased.
Value Type: Vis.Color
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Specifies the color of bonds.
If the control-parameter is left unspecified and the properties Vis.MolecularGraphProperty.BOND_COLOR and Vis.BondProperty.COLOR are not set, the default setting Vis.ControlParameterDefault.BOND_COLOR will be used.
Value Type: Vis.Color
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Specifies the font for bond labels.
If the control-parameter is left unspecified and the properties Vis.MolecularGraphProperty.BOND_LABEL_FONT and Vis.BondProperty.LABEL_FONT are not set, the default setting Vis.ControlParameterDefault.BOND_LABEL_FONT will be used.
Value Type: Vis.Font
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Specifies the margin of free space around bond labels.
The margin can either be specified as an absolute value or as a scaling factor for the primary label size given by Vis.ControlParameter.BOND_LABEL_SIZE, Vis.MolecularGraphProperty.BOND_LABEL_SIZE or Vis.BondProperty.LABEL_SIZE. If input-scaling is enabled, the width of the margin will follow the size change of the chemical structure during bond length normalization. If output-scaling is enabled, the label margin will follow the size change of the chemical structure during viewport size adjustment. If the control-parameter is left unspecified and the properties Vis.MolecularGraphProperty.BOND_LABEL_MARGIN and Vis.BondProperty.LABEL_MARGIN are not set, the default setting Vis.ControlParameterDefault.BOND_LABEL_MARGIN will be used.
Value Type: Vis.SizeSpecification
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Specifies the size of bond labels.
The font size has to be specified as an absolute value. If input-scaling is enabled, the font size will follow the size change of the chemical structure during bond length normalization. If output-scaling is enabled, the font size will follow the size change of the chemical structure during viewport size adjustment. If the control-parameter is left unspecified and the properties Vis.MolecularGraphProperty.BOND_LABEL_SIZE and Vis.BondProperty.LABEL_SIZE are not set, the default setting Vis.ControlParameterDefault.BOND_LABEL_SIZE will be used.
Value Type: Vis.SizeSpecification
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Specifies the desired average bond length for the visualization of chemical structures.
The bond length has to be specified as an absolute value. The input- and output-scaling settings are ignored and have no effect. If the specified bond length is smaller or equal zero, then the structure is not resized and the original 2D atom coordinates are used. Otherwise the atom coordinates are scaled to obtain the specified average bond length. If the control-parameter is left unspecified, the default setting Vis.ControlParameterDefault.BOND_LENGTH will be used.
Value Type: Vis.SizeSpecification
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Specifies the distance between the lines of double and triple bonds.
The distance can either be specified as an absolute value or as a scaling factor for the bond length. If input-scaling is enabled, the line distance will follow the size change of the chemical structure during bond length normalization. If output-scaling is enabled, the distance grows/shrinks with the size of the chemical structure during viewport size adjustment. If the control-parameter is left unspecified and the properties Vis.MolecularGraphProperty.BOND_LINE_SPACING and Vis.BondProperty.LINE_SPACING are not set, the default setting Vis.ControlParameterDefault.BOND_LINE_SPACING will be used.
Value Type: Vis.SizeSpecification
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Specifies the width of bond lines.
The width can either be specified as an absolute value or as a scaling factor for the bond length. If input-scaling is enabled, the line width will follow the size change of the chemical structure during bond length normalization. If output-scaling is enabled, the line width grows/shrinks with the size of the chemical structure during viewport size adjustment. If the control-parameter is left unspecified and the properties Vis.MolecularGraphProperty.BOND_LINE_WIDTH and Vis.BondProperty.LINE_WIDTH are not set, the default setting Vis.ControlParameterDefault.BOND_LINE_WIDTH will be used.
Value Type: Vis.SizeSpecification
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Specifies the length of the lines in reaction center marks.
The length can either be specified as an absolute value or as a scaling factor for the bond length. If input-scaling is enabled, the line length will follow the size change of the chemical structure during bond length normalization. If output-scaling is enabled, the length grows/shrinks with the size of the chemical structure during viewport size adjustment. If the control-parameter is left unspecified and the properties Vis.MolecularGraphProperty.REACTION_CENTER_LINE_LENGTH and Vis.BondProperty.REACTION_CENTER_LINE_LENGTH are not set, the default setting Vis.ControlParameterDefault.REACTION_CENTER_LINE_LENGTH will be used.
Value Type: Vis.SizeSpecification
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Specifies the distance between the lines in reaction center marks.
The distance can either be specified as an absolute value or as a scaling factor for the bond length. If input-scaling is enabled, the line distance will follow the size change of the chemical structure during bond length normalization. If output-scaling is enabled, the distance grows/shrinks with the size of the chemical structure during viewport size adjustment. If the control-parameter is left unspecified and the properties Vis.MolecularGraphProperty.REACTION_CENTER_LINE_SPACING and Vis.BondProperty.REACTION_CENTER_LINE_SPACING are not set, the default setting Vis.ControlParameterDefault.REACTION_CENTER_LINE_SPACING will be used.
Value Type: Vis.SizeSpecification
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Specifies the distance between the hashes of down stereo bonds.
The distance can either be specified as an absolute value or as a scaling factor for the bond length. If input-scaling is enabled, the hash distance will follow the size change of the chemical structure during bond length normalization. If output-scaling is enabled, the hash distance grows/shrinks with the size of the chemical structure during viewport size adjustment. If the control-parameter is left unspecified and the properties Vis.MolecularGraphProperty.STEREO_BOND_HASH_SPACING and Vis.BondProperty.STEREO_BOND_HASH_SPACING are not set, the default setting Vis.ControlParameterDefault.STEREO_BOND_HASH_DISTANCE will be used.
Value Type: Vis.SizeSpecification
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Specifies the width of wedge-shaped stereo bonds.
The width can either be specified as an absolute value or as a scaling factor for the bond length. If input-scaling is enabled, the wedge width will follow the size change of the chemical structure during bond length normalization. If output-scaling is enabled, the wedge width grows/shrinks with the size of the chemical structure during viewport size adjustment. If the control-parameter is left unspecified and the properties Vis.MolecularGraphProperty.STEREO_BOND_WEDGE_WIDTH and Vis.BondProperty.STEREO_BOND_WEDGE_WIDTH are not set, the default setting Vis.ControlParameterDefault.STEREO_BOND_WEDGE_WIDTH will be used.
Value Type: Vis.SizeSpecification
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Specifies the amount by which the non-central lines of asymmetric double bonds have to be trimmed at each line end.
The trim length can either be specified as an absolute value or as a scaling factor for the bond length. If input-scaling is enabled, the trim length will follow the size change of the chemical structure during bond length normalization. If output-scaling is enabled, the length grows/shrinks with the size of the chemical structure during viewport size adjustment. If the control-parameter is left unspecified and the properties Vis.MolecularGraphProperty.DOUBLE_BOND_TRIM_LENGTH and Vis.BondProperty.DOUBLE_BOND_TRIM_LENGTH are not set, the default setting Vis.ControlParameterDefault.DOUBLE_BOND_TRIM_LENGTH will be used.
Value Type: Vis.SizeSpecification
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Specifies the vertical alignment of reaction agents relative to the reaction arrow.
Supported vertical alignment styles are defined in namespace Vis.Alignment. If REACTION_AGENT_ALIGNMENT
is left unspecified and the property Vis.ReactionProperty.AGENT_ALIGNMENT is not set, the default alignment setting Vis.ControlParameterDefault.REACTION_AGENT_ALIGNMENT will be used.
Value Type: unsigned int
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Specifies the reaction agent layout style.
Supported layout styles are defined in namespace Vis.LayoutStyle. If REACTION_AGENT_LAYOUT
is left unspecified and the property Vis.ReactionProperty.AGENT_LAYOUT is not set, the default layout Vis.ControlParameterDefault.REACTION_AGENT_LAYOUT will be used.
Value Type: unsigned int
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Specifies the reaction agent layout direction.
Supported layout directions are defined in namespace Vis.LayoutDirection. If REACTION_AGENT_LAYOUT_DIRECTION
is left unspecified and the property Vis.ReactionProperty.AGENT_LAYOUT_DIRECTION is not set, the default layout direction Vis.ControlParameterDefault.REACTION_AGENT_LAYOUT_DIRECTION will be used.
Value Type: unsigned int
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Specifies the color of reaction arrows.
If the control-parameter is left unspecified and the property Vis.ReactionProperty.ARROW_COLOR is not set, the default setting Vis.ControlParameterDefault.REACTION_ARROW_COLOR will be used.
Value Type: Vis.Color
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Specifies the head length of reaction arrows.
The specified head length can be absolute or relative to the overall arrow length defined by Vis.ControlParameter.REACTION_ARROW_LENGTH or Vis.ReactionProperty.ARROW_LENGTH. The output- and input-scaling settings are ignored and have no effect. If the control-parameter is left unspecified and the property Vis.ReactionProperty.ARROW_HEAD_LENGTH is not set, the default setting Vis.ControlParameterDefault.REACTION_ARROW_HEAD_LENGTH will be used.
Value Type: Vis.SizeSpecification
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Specifies the head width of reaction arrows.
The specified width can be absolute or relative to the overall arrow length defined by Vis.ControlParameter.REACTION_ARROW_LENGTH or Vis.ReactionProperty.ARROW_LENGTH. The output- and input-scaling settings are ignored and have no effect. If the control-parameter is left unspecified and the property Vis.ReactionProperty.ARROW_HEAD_WIDTH is not set, the default setting Vis.ControlParameterDefault.REACTION_ARROW_HEAD_WIDTH will be used.
Value Type: Vis.SizeSpecification
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Specifies the length of reaction arrows.
Specifying the length as beeing relative has the effect, that the given length is interpreted as a minimum length for an arrow which is as long as the width of the overall area covered by the drawn reaction agents (if any). The output- and input-scaling settings are ignored and have no effect. If the control-parameter is left unspecified and the property Vis.ReactionProperty.ARROW_LENGTH is not set, the default setting Vis.ControlParameterDefault.REACTION_ARROW_LENGTH will be used.
Value Type: Vis.SizeSpecification
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Specifies the width of reaction arrow outlines.
The specified width can be absolute or relative to the overall arrow length defined by Vis.ControlParameter.REACTION_ARROW_LENGTH or Vis.ReactionProperty.ARROW_LENGTH. The output- and input-scaling settings are ignored and have no effect. If the control-parameter is left unspecified and the property Vis.ReactionProperty.ARROW_LINE_WIDTH is not set, the default setting Vis.ControlParameterDefault.REACTION_ARROW_HEAD_LENGTH will be used.
Value Type: Vis.SizeSpecification
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Specifies the shaft width of reaction arrows.
The specified width can be absolute or relative to the overall arrow length defined by Vis.ControlParameter.REACTION_ARROW_LENGTH or Vis.ReactionProperty.ARROW_LENGTH. The output- and input-scaling settings are ignored and have no effect. If the control-parameter is left unspecified and the property Vis.ReactionProperty.ARROW_SHAFT_WIDTH is not set, the default setting Vis.ControlParameterDefault.REACTION_ARROW_SHAFT_WIDTH will be used.
Value Type: Vis.SizeSpecification
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Specifies the style of reaction arrows.
Supported styles are defined as constants in namespace Vis.ArrowStyle. If REACTION_ARROW_STYLE
is left unspecified and the property Vis.ReactionProperty.ARROW_STYLE is not set, the default arrow style Vis.ControlParameterDefault.REACTION_ARROW_STYLE will be used.
Value Type: unsigned int
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Specifies the layout style of reaction products and reactants.
Supported layout styles are defined in namespace Vis.LayoutStyle. If REACTION_COMPONENT_LAYOUT
is left unspecified and the property Vis.ReactionProperty.COMPONENT_LAYOUT is not set, the default layout setting Vis.ControlParameterDefault.REACTION_COMPONENT_LAYOUT will be used.
Value Type: unsigned int
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Specifies the layout direction of reaction products and reactants.
Supported layout directions are defined in namespace Vis.LayoutDirection. If REACTION_COMPONENT_LAYOUT_DIRECTION
is left unspecified and the property Vis.ReactionProperty.COMPONENT_LAYOUT_DIRECTION is not set, the default layout direction Vis.ControlParameterDefault.REACTION_COMPONENT_LAYOUT_DIRECTION will be used.
Value Type: unsigned int
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Specifies the amount of free space that is added horizontally and vertically to the bounds of a reaction component.
The margin width has to be specified as an absolute value. The output- and input-scaling settings are ignored and have no effect. If the control-parameter is left unspecified and the property Vis.ReactionProperty.COMPONENT_MARGIN is not set, the default setting Vis.ControlParameterDefault.REACTION_COMPONENT_MARGIN will be used.
Value Type: Vis.SizeSpecification
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Specifies the color of reaction component '+' signs.
If the control-parameter is left unspecified and the property Vis.ReactionProperty.PLUS_SIGN_COLOR is not set, the default setting Vis.ControlParameterDefault.REACTION_PLUS_SIGN_COLOR will be used.
Value Type: Vis.Color
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Specifies the line width of reaction component '+' signs.
The size has to be specified as an absolute value. The output- and input-scaling settings are ignored and have no effect. If the control-parameter is left unspecified and the property Vis.ReactionProperty.PLUS_SIGN_LINE_WIDTH is not set, the default setting Vis.ControlParameterDefault.REACTION_PLUS_SIGN_LINE_WIDTH will be used.
Value Type: Vis.SizeSpecification
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Specifies the size of reaction component '+' signs.
The size has to be specified as an absolute value. The output- and input-scaling settings are ignored and have no effect. If the control-parameter is left unspecified and the property Vis.ReactionProperty.PLUS_SIGN_SIZE is not set, the default setting Vis.ControlParameterDefault.REACTION_PLUS_SIGN_SIZE will be used.
Value Type: Vis.SizeSpecification
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Specifies whether or not to show the reactants of a reaction.
If the control-parameter is left unspecified and the property Vis.ReactionProperty.SHOW_REACTANTS is not set, the default setting Vis.ControlParameterDefault.SHOW_REACTION_REACTANTS will be used.
Value Type: bool
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Specifies whether or not to show the agents of a reaction.
If the control-parameter is left unspecified and the property Vis.ReactionProperty.SHOW_AGENTS is not set, the default setting Vis.ControlParameterDefault.SHOW_REACTION_AGENTS will be used.
Value Type: bool
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Specifies whether or not to show the products of a reaction.
If the control-parameter is left unspecified and the property Vis.ReactionProperty.SHOW_PRODUCTS is not set, the default setting Vis.ControlParameterDefault.SHOW_REACTION_PRODUCTS will be used.
Value Type: bool
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Specifies whether or not to show the formal charge of atoms.
If the control-parameter is left unspecified, the default setting Vis.ControlParameterDefault.SHOW_CHARGES will be used.
Value Type: bool
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Specifies whether or not to show the implicit hydrogen count of connected atoms.
If the control-parameter is left unspecified, the default setting Vis.ControlParameterDefault.SHOW_HYDROGEN_COUNTS will be used.
Value Type: bool
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Specifies whether or not to show the isotopic mass of atoms.
If the control-parameter is left unspecified, the default setting Vis.ControlParameterDefault.SHOW_ISOTOPES will be used.
Value Type: bool
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Specifies whether or not to show the implicit hydrogen count of connected non-carbon atoms.
If the control-parameter is left unspecified, the default setting Vis.ControlParameterDefault.SHOW_NON_CARBON_HYDROGEN_COUNTS will be used.
Value Type: bool
True
or if an atom has no bonds to other visible atoms.
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Specifies whether or not to show query atom match expressions.
If the control-parameter is left unspecified, the default setting Vis.ControlParameterDefault.SHOW_ATOM_QUERY_INFOS will be used.
Value Type: bool
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Specifies whether or not to draw radical electron dots.
If the control-parameter is left unspecified, the default setting Vis.ControlParameterDefault.SHOW_RADICAL_ELECTRONS will be used.
Value Type: bool
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Specifies whether or not to show reaction atom-atom mapping numbers.
If the control-parameter is left unspecified, the default setting Vis.ControlParameterDefault.SHOW_ATOM_REACTION_INFOS will be used.
Value Type: bool
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Specifies whether or not to show query bond match expressions.
If the control-parameter is left unspecified, the default setting Vis.ControlParameterDefault.SHOW_BOND_QUERY_INFOS will be used.
Value Type: bool
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Specifies whether or not to draw reaction center marks.
If the control-parameter value is set to True
and a bond is part of a reaction center, the bond will be decorated with reaction center marks. The look of reaction center marks is determined by the value of the Chem.Bond property Chem.BondProperty.REACTION_CENTER_STATUS:
If the control-parameter is left unspecified, the default setting Vis.ControlParameterDefault.SHOW_BOND_REACTION_INFOS will be used.
Value Type: bool
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Specifies whether or not to draw stereo bonds.
If SHOW_STEREO_BONDS
is set to True
, the look of single and double bonds is determined by the value of the Chem.Bond property Chem.BondProperty.STEREO_FLAG.
Depending on the value of the stereo flag single bonds are drawn as follows:
Double bonds are drawn as crossed lines if the bond is flagged with Chem.BondStereoFlag.EITHER or Chem.BondStereoFlag.REVERSE_EITHER. All other flag values have no effect.
If the control-parameter is left unspecified, the default setting Vis.ControlParameterDefault.SHOW_STERO_BONDS will be used.
Value Type: bool
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Specifies whether or not to show the element label of carbon atoms.
If the control-parameter is left unspecified, the default setting Vis.ControlParameterDefault.SHOW_CARBONS will be used.
Value Type: bool
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Specifies whether or not to show explicit hydrogen atoms.
If the control-parameter is left unspecified, the default setting Vis.ControlParameterDefault.SHOW_EXPLICIT_HYDROGENS will be used.
Value Type: bool
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Specifies how to adjust the size of a 2D depiction relative to the available viewport area.
Supported adjustment policies are defined in namespace Vis.SizeAdjustment. If SIZE_ADJUSTMENT
is left unspecified, the default size adjustment setting Vis.ControlParameterDefault.SIZE_ADJUSTMENT will be used.
Value Type: unsigned int
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Specifies the amount by which the non-central lines of triple bonds have to be trimmed at each line end.
The trim length can either be specified as an absolute value or as a scaling factor for the bond length. If input-scaling is enabled, the trim length will follow the size change of the chemical structure during bond length normalization. If output-scaling is enabled, the length grows/shrinks with the size of the chemical structure during viewport size adjustment. If the control-parameter is left unspecified and the properties Vis.MolecularGraphProperty.TRIPLE_BOND_TRIM_LENGTH and Vis.BondProperty.TRIPLE_BOND_TRIM_LENGTH are not set, the default setting Vis.ControlParameterDefault.TRIPLE_BOND_TRIM_LENGTH will be used.
Value Type: Vis.SizeSpecification
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Specifies whether or not to use calculated atom coordinates for the visualization of chemical structures.
If the control-parameter is set to False
and assigned 2D atom coordinates are available, then the assigned coordinates will be used. If the parameter is True
or no assigned 2D-coordinates are available, the atom coordinates will be calculated. If the control-parameter is left unspecified, the default setting Vis.ControlParameterDefault.USE_CALCULATED_ATOM_COORDINATES will be used.
Value Type: bool
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Specifies a rectangular viewport area which constrains the location and size of 2D depictions.
The way the size and location of a graphical object is adjusted has to be specified separately by the control-parameters Vis.ControlParameter.SIZE_ADJUSTMENT and Vis.ControlParameter.ALIGNMENT. If VIEWPORT
is left unspecified, the default setting Vis.ControlParameterDefault.VIEWPORT will be used.
Value Type: Vis.Rectangle2D
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Specifies whether or not to show atom configuration descriptor labels.
If the control-parameter is left unspecified, the default setting Vis.ControlParameterDefault.SHOW_ATOM_CONFIGURATION_LABELS will be used.
Value Type: bool
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Specifies the font used for atom configuration descriptor text labels.
If the control-parameter is left unspecified and the properties Vis.MolecularGraphProperty.ATOM_CONFIGURATION_LABEL_FONT and Vis.AtomProperty.CONFIGURATION_LABEL_FONT are not set, the default setting Vis.ControlParameterDefault.ATOM_CONFIGURATION_LABEL_FONT will be used.
Value Type: Vis.Font
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Specifies the size of atom configuration descriptor text labels.
The size can either be specified as an absolute value or as a scaling factor for the primary label size given by Vis.ControlParameter.ATOM_LABEL_SIZE, Vis.MolecularGraphProperty.ATOM_LABEL_SIZE or Vis.AtomProperty.LABEL_SIZE. If input-scaling is enabled, the size of the font will follow the size change of the chemical structure during bond length normalization. If output-scaling is enabled, the font size will follow the size change of the chemical structure during viewport size adjustment. If the control-parameter is left unspecified and the properties Vis.MolecularGraphProperty.ATOM_CONFIGURATION_LABEL_SIZE and Vis.AtomProperty.CONFIGURATION_LABEL_SIZE are not set, the default setting Vis.ControlParameterDefault.ATOM_CONFIGURATION_LABEL_SIZE will be used.
Value Type: Vis.SizeSpecification
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Specifies whether or not to show bond configuration descriptor labels.
If the control-parameter is left unspecified, the default setting Vis.ControlParameterDefault.SHOW_BOND_CONFIGURATION_LABELS will be used.
Value Type: bool
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Specifies the font used for bond configuration descriptor text labels.
If the control-parameter is left unspecified and the properties Vis.MolecularGraphProperty.BOND_CONFIGURATION_LABEL_FONT and Vis.BondProperty.CONFIGURATION_LABEL_FONT are not set, the default setting Vis.ControlParameterDefault.BOND_CONFIGURATION_LABEL_FONT will be used.
Value Type: Vis.Font
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Specifies the size of bond configuration descriptor text labels.
The size can either be specified as an absolute value or as a scaling factor for the primary label size given by Vis.ControlParameter.BOND_LABEL_SIZE, Vis.MolecularGraphProperty.BOND_LABEL_SIZE or Vis.BondProperty.LABEL_SIZE. If input-scaling is enabled, the size of the font will follow the size change of the chemical structure during bond length normalization. If output-scaling is enabled, the font size will follow the size change of the chemical structure during viewport size adjustment. If the control-parameter is left unspecified and the properties Vis.MolecularGraphProperty.BOND_CONFIGURATION_LABEL_SIZE and Vis.BondProperty.CONFIGURATION_LABEL_SIZE are not set, the default setting Vis.ControlParameterDefault.BOND_CONFIGURATION_LABEL_SIZE will be used.
Value Type: Vis.SizeSpecification