Package com.actelion.research.chem
Class ChemistryHelper
- java.lang.Object
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- com.actelion.research.chem.ChemistryHelper
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public class ChemistryHelper extends java.lang.Object
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Field Summary
Fields Modifier and Type Field Description static int
REACTION_TYPE_NOMOLS
static int
REACTION_TYPE_NOPRODUCTS
static int
REACTION_TYPE_NORMAL
static int
REACTION_TYPE_REACTANTS
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Method Summary
All Methods Static Methods Concrete Methods Modifier and Type Method Description static void
arrangeReaction(Reaction rxn, java.awt.Dimension size)
static java.awt.geom.Rectangle2D.Double
getArrowBoundingRect(Reaction r)
static double
getAverageBondLength(Reaction r)
static java.awt.geom.Rectangle2D.Double
getBoundingRect(ExtendedMolecule m)
static java.awt.geom.Rectangle2D
getBoundingRect(ExtendedMolecule[] mols)
static java.awt.geom.Rectangle2D.Double
getBoundingRect(Reaction r, boolean includearrows)
static java.awt.geom.Rectangle2D.Double
getDiffRect(java.awt.geom.Rectangle2D rr, java.awt.geom.Rectangle2D rp)
static ExtendedMolecule[]
getProducts(Reaction r)
static java.awt.geom.Rectangle2D
getProductsBoundingRect(Reaction r)
static ExtendedMolecule[]
getReactants(Reaction r)
static java.awt.geom.Rectangle2D.Double
getReactantsBoundingRect(Reaction r)
static int
getReactionType(Reaction r)
static void
scaleInto(Reaction reaction, double x, double y, double width, double height, double arrowSize)
static void
scaleIntoF(Reaction reaction, double x, double y, double width, double height, double arrowSize)
static void
scaleIntoOld(Reaction reaction, double x, double y, double width, double height, double arrowSize)
static void
setAverageBondLength(Reaction rxn, double bndlen)
static void
transformMolecule(Molecule m, double offsetx, double offsety, double scale)
static void
transformMolecules(Molecule[] mols, double offsetx, double offsety, double scale)
static void
transformReaction(Reaction r, double offsetx, double offsety, double scale)
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Field Detail
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REACTION_TYPE_NOMOLS
public static final int REACTION_TYPE_NOMOLS
- See Also:
- Constant Field Values
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REACTION_TYPE_NOPRODUCTS
public static final int REACTION_TYPE_NOPRODUCTS
- See Also:
- Constant Field Values
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REACTION_TYPE_REACTANTS
public static final int REACTION_TYPE_REACTANTS
- See Also:
- Constant Field Values
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REACTION_TYPE_NORMAL
public static final int REACTION_TYPE_NORMAL
- See Also:
- Constant Field Values
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Method Detail
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getReactionType
public static int getReactionType(Reaction r)
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getBoundingRect
public static java.awt.geom.Rectangle2D.Double getBoundingRect(Reaction r, boolean includearrows)
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getBoundingRect
public static java.awt.geom.Rectangle2D.Double getBoundingRect(ExtendedMolecule m)
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getAverageBondLength
public static double getAverageBondLength(Reaction r)
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setAverageBondLength
public static void setAverageBondLength(Reaction rxn, double bndlen)
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getReactantsBoundingRect
public static java.awt.geom.Rectangle2D.Double getReactantsBoundingRect(Reaction r)
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getArrowBoundingRect
public static java.awt.geom.Rectangle2D.Double getArrowBoundingRect(Reaction r)
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getDiffRect
public static java.awt.geom.Rectangle2D.Double getDiffRect(java.awt.geom.Rectangle2D rr, java.awt.geom.Rectangle2D rp)
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getProductsBoundingRect
public static java.awt.geom.Rectangle2D getProductsBoundingRect(Reaction r)
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transformReaction
public static void transformReaction(Reaction r, double offsetx, double offsety, double scale)
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transformMolecules
public static void transformMolecules(Molecule[] mols, double offsetx, double offsety, double scale)
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transformMolecule
public static void transformMolecule(Molecule m, double offsetx, double offsety, double scale)
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scaleIntoF
public static void scaleIntoF(Reaction reaction, double x, double y, double width, double height, double arrowSize)
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scaleInto
public static void scaleInto(Reaction reaction, double x, double y, double width, double height, double arrowSize)
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scaleIntoOld
public static void scaleIntoOld(Reaction reaction, double x, double y, double width, double height, double arrowSize)
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getReactants
public static ExtendedMolecule[] getReactants(Reaction r)
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getProducts
public static ExtendedMolecule[] getProducts(Reaction r)
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getBoundingRect
public static java.awt.geom.Rectangle2D getBoundingRect(ExtendedMolecule[] mols)
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arrangeReaction
public static void arrangeReaction(Reaction rxn, java.awt.Dimension size)
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