| Modifier and Type | Field and Description |
|---|---|
static int |
ALIGNMENT_OFF
The structure is displayed with the original coordinates.
|
static int |
ALIGNMENT_PARTIAL_CLEAN
The substructure part of the target will
get the exact coordinates of the query, and new coordinates will
be generated for the remainder of the structure.
|
static int |
ALIGNMENT_ROTATE
The structure is rotated according to the substructure.
|
int |
alignmentMode
Deprecated.
as of JChem 5.10, use
setAlignmentMode(int)
and getAlignmentMode() to access this field. |
boolean |
coloring
Deprecated.
as of JChem 5.10, use
setColoringEnabled(boolean)
and isColoringEnabled() to access this field. |
static int |
DISSIMILARITY
The dissimilarity score is shown and stored in the MPropertyContainer of
the Molecule.
|
boolean |
enumerateMarkush
Deprecated.
as of JChem 5.12, use
setEnumerateMarkush(boolean)
and getEnumerateMarkush() to access this field. |
Color |
hitColor
Deprecated.
as of JChem 5.10, use
setHitColor(Color)
and getHitColor() to access this field. |
Color |
hitHomologyColor
Deprecated.
as of JChem 5.10, use
setHitHomologyColor(Color)
and getHitHomologyColor() to access this field. |
static int |
MARKUSH_REDUCTION
Constant value specifying, that in case of markush searching
the markush structure is expanded according to the query
structure.
|
static int |
MARKUSH_REDUCTION_HGEXPANSION
Constant value specifying, that in case of markush searching
the markush structure is expanded according to the query
structure and homology groups are also replaced by the query structure
matching on them.
|
int |
markushDisplayMode
Deprecated.
as of JChem 5.10, use
setMarkushDisplayMode(int)
and getMarkushDisplayMode() to access this field. |
Color |
nonHitColor
Deprecated.
as of JChem 5.10, use
setNonHitColor(Color)
and getNonHitColor() to access this field. |
Color |
nonHitColor3D
Deprecated.
as of JChem 5.10, use
setNonHitColor3D(Color)
and getNonHitColor3D() to access this field. |
static int |
ORIGINAL_MARKUSH
Constant value specifying, that in case of markush searching
hit is displayed on the markush structure.
|
static String |
QUERY_LABEL
Label for the query part of a similarity hit.
|
static int |
SIMILARITY
The similarity score is shown and stored in the MPropertyContainer of the
Molecule.
|
static String |
SIMILARITY_LABEL
Label for the similarity score part of the hit.
|
static int |
SIMILARITY_OFF
The similarity score is neither shown nor stored in the
MPropertyContainer of the Molecule.
|
int |
similarityScoreDisplay
Deprecated.
as of JChem 5.10, use
setSimilarityScoreDisplay(int)
and getSimilarityScoreDisplay() to access this field. |
static String |
TARGET_LABEL
Label for the target part of the similarity hit.
|
| Constructor and Description |
|---|
HitColoringAndAlignmentOptions() |
| Modifier and Type | Method and Description |
|---|---|
Object |
clone()
Makes an identical copy of the Options
|
int |
getAlignmentMode()
Returns the alignment mode.
|
boolean |
getEnumerateMarkush()
Returns
true if markush structures should be hit enumerated according
to the query structure. |
Color |
getHitColor()
Returns the color to be used when coloring the substructure hit.
|
Color |
getHitHomologyColor()
Returns the color used for highlighting user defined homologies in a
substructure hit.
|
int |
getMarkushDisplayMode()
Returns the Markush display mode.
|
Color |
getNonHitColor()
Returns the color to be used when coloring the part of the
target which is not matching to the query.
|
Color |
getNonHitColor3D()
Returns the color to be used when coloring the part of the
3D target which is not matching to the query.
|
int |
getSimilarityScoreDisplay()
Returns the mode of similarity score display.
|
static boolean |
isAcceptedOptionName(String optionName)
Checks if the given option name can be a hit coloring and alignment option.
|
boolean |
isColoringEnabled()
Specifies if substructure hit coloring should be used.
|
boolean |
isDisplayLabelsAndBoxes()
Gets whether bounding boxes and labels are to be displayed for
the components of the search.
|
boolean |
isQueryDisplay()
Gets whether the query should be displayed in
the upper left corner along with the hit.
|
boolean |
isRemoveUnusedDefitions()
Gets whether unused definitions should be removed or not.
|
void |
setAlignmentMode(int alignmentMode)
Sets the alignment mode.
|
void |
setColoringEnabled(boolean coloringEnabled)
Sets whether substructure hit coloring should be used.
|
void |
setDisplayLabelsAndBoxes(boolean value)
Set the option to show labels and bounding boxes for the parts of
the result: target, query, score.
|
void |
setEnumerateMarkush(boolean enumerateMarkush)
Sets whether markush structures should be hit enumerated according
to the query structure.
|
void |
setHitColor(Color hitColor)
Sets the color to be used when coloring the substructure hit.
|
void |
setHitHomologyColor(Color hitHomologyColor)
Set the color of user defined homologies in a substructure hit.
|
void |
setMarkushDisplayMode(int markushDisplayMode)
Sets the Markush display mode.
|
void |
setNonHitColor(Color nonHitColor)
Sets the color to be used when coloring the part of the
target which is not matching to the query.
|
void |
setNonHitColor3D(Color nonHitColor3D)
Sets the color to be used when coloring the part of the
3D target which is not matching to the query.
|
static void |
setOptions(HitColoringAndAlignmentOptions hcaaOptions,
String hitColorAndAlignOptionList)
Parses the option list given while updating a HitColoringAndAlignmentOptions
object.
|
void |
setQueryDisplay(boolean value)
Set query display option
|
void |
setRemoveUnusedDefinitions(boolean value)
Sets the remove unused definitions option.
|
void |
setSimilarityScoreDisplay(int similarityScoreDisplay)
Sets the mode of similarity score display.
|
String |
toString()
Returns a String representation of this object,
which can be used in
setOptions(HitColoringAndAlignmentOptions, String)
to fill another HitColoringAndAlignmentOptions object with parameters. |
String |
toString(String optionSeparator)
Returns a String representation of this object,
which can be used in
setOptions(HitColoringAndAlignmentOptions, String)
to fill another HitColoringAndAlignmentOptions object with parameters. |
public static final int ALIGNMENT_OFF
public static final int ALIGNMENT_ROTATE
public static final int ALIGNMENT_PARTIAL_CLEAN
public static final int ORIGINAL_MARKUSH
public static final int MARKUSH_REDUCTION
public static final int MARKUSH_REDUCTION_HGEXPANSION
@Deprecated public boolean coloring
setColoringEnabled(boolean)
and isColoringEnabled() to access this field.@Deprecated public boolean enumerateMarkush
setEnumerateMarkush(boolean)
and getEnumerateMarkush() to access this field.@Deprecated public int markushDisplayMode
setMarkushDisplayMode(int)
and getMarkushDisplayMode() to access this field.@Deprecated public int alignmentMode
setAlignmentMode(int)
and getAlignmentMode() to access this field.@Deprecated public Color hitColor
setHitColor(Color)
and getHitColor() to access this field.Color.blue@Deprecated public Color hitHomologyColor
setHitHomologyColor(Color)
and getHitHomologyColor() to access this field.Color.green@Deprecated public Color nonHitColor
setNonHitColor(Color)
and getNonHitColor() to access this field.Color.blacksetNonHitColor3D(Color),
getNonHitColor3D()@Deprecated public Color nonHitColor3D
setNonHitColor3D(Color)
and getNonHitColor3D() to access this field.Color.graysetNonHitColor(Color),
getNonHitColor()public static final int SIMILARITY_OFF
public static final int DISSIMILARITY
public static final int SIMILARITY
@Deprecated public int similarityScoreDisplay
setSimilarityScoreDisplay(int)
and getSimilarityScoreDisplay() to access this field.SIMILARITY (default)DISSIMILARITYSIMILARITY_OFFpublic static final String QUERY_LABEL
public static final String TARGET_LABEL
public static final String SIMILARITY_LABEL
public boolean getEnumerateMarkush()
true if markush structures should be hit enumerated according
to the query structure. (Markush reduction to the hit.)true if markush structures should be hit enumerated according
to the query structure. (Markush reduction to the hit.)public void setEnumerateMarkush(boolean enumerateMarkush)
enumerateMarkush - true if markush structures
should be hit enumerated according
to the query structure. (Markush reduction to the hit.)public boolean isQueryDisplay()
public void setQueryDisplay(boolean value)
value - true if query is to be displayed
false if not.
See:
public boolean isRemoveUnusedDefitions()
truetrue if definitions are to be removed
false if not.setRemoveUnusedDefinitions(boolean)public void setRemoveUnusedDefinitions(boolean value)
truevalue - true if definitions are to be removed
false if not.isRemoveUnusedDefitions()public boolean isDisplayLabelsAndBoxes()
public void setHitHomologyColor(Color hitHomologyColor)
Color.green.hitHomologyColor - color used for highlighting homolgies in a hitpublic Color getHitHomologyColor()
Color.green.public void setDisplayLabelsAndBoxes(boolean value)
value - true if labels and boxes to be displayed false otherwise.public static boolean isAcceptedOptionName(String optionName)
optionName - the option in questionpublic static void setOptions(HitColoringAndAlignmentOptions hcaaOptions, String hitColorAndAlignOptionList)
toString(String).hcaaOptions - HitColoringAndAlignmentOptions to be updated
based on option list providedhitColorAndAlignOptionList - options list to be parsed
Can set multiple options.
Name and value of an option should be separated by ":", and
different pairs of names/values by spaces. Instead of spaces an alternative
option separator string (even more than 1 character) can be specified
at the beginning of optionString by the syntax
"sep='separator string' ...". After 'separator string' there must be
at least 1 space character!)
IllegalArgumentException - in case of wrong option value stringtoString(String)public String toString()
setOptions(HitColoringAndAlignmentOptions, String)
to fill another HitColoringAndAlignmentOptions object with parameters.toString in class ObjectsetOptions(HitColoringAndAlignmentOptions, String)public String toString(String optionSeparator)
setOptions(HitColoringAndAlignmentOptions, String)
to fill another HitColoringAndAlignmentOptions object with parameters.optionSeparator - the separator string used between parameters,
null means space (" ")setOptions(HitColoringAndAlignmentOptions, String)public Object clone()
public int getMarkushDisplayMode()
public void setMarkushDisplayMode(int markushDisplayMode)
markushDisplayMode - the Markush display modepublic int getAlignmentMode()
public void setAlignmentMode(int alignmentMode)
alignmentMode - the alignment modepublic boolean isColoringEnabled()
false.true if substructure hit coloring should be usedpublic void setColoringEnabled(boolean coloringEnabled)
false.coloringEnabled - true if substructure hit coloring should be usedpublic Color getHitColor()
Color.blue.public void setHitColor(Color hitColor)
Color.blue.hitColor - the hitColor to setpublic Color getNonHitColor()
Color.black.public void setNonHitColor(Color nonHitColor)
Color.black.nonHitColor - the nonHitColor to setpublic Color getNonHitColor3D()
Color.gray.public void setNonHitColor3D(Color nonHitColor3D)
Color.gray.nonHitColor3D - the nonHitColor3D to setpublic int getSimilarityScoreDisplay()
SIMILARITY (default)DISSIMILARITYSIMILARITY_OFFpublic void setSimilarityScoreDisplay(int similarityScoreDisplay)
SIMILARITY (default)DISSIMILARITYSIMILARITY_OFFsimilarityScoreDisplay - the similarityScoreDisplay to set