java.io.Serializable
public class PDBCrystallographicInfo
extends java.lang.Object
implements java.io.Serializable
Constructor | Description |
---|---|
PDBCrystallographicInfo() |
Modifier and Type | Method | Description |
---|---|---|
float |
getA() |
|
float |
getAlpha() |
|
float |
getB() |
|
float |
getBeta() |
|
float |
getC() |
|
CrystalCell |
getCrystalCell() |
Return the crystal cell
|
float |
getGamma() |
|
javax.vecmath.Matrix4d[] |
getNcsOperators() |
Get the NCS operators.
|
SpaceGroup |
getSpaceGroup() |
Get the SpaceGroup
|
javax.vecmath.Matrix4d[] |
getTransformationsOrthonormal() |
Gets all symmetry transformation operators corresponding to this structure's space group
(including the identity, at index 0) expressed in the orthonormal basis.
|
int |
getZ() |
Deprecated.
As of 4.0, use
SpaceGroup.getMultiplicity() and Structure.size() |
boolean |
isNonStandardCoordFrameConvention() |
Whether this structure is non-standard coordinate frame convention, for which our scale matrix
calculation and thus the crystal reconstruction will be incorrect.
|
boolean |
isNonStandardSg() |
Whether this structure has a non-standard space group not supported
by Biojava.
|
void |
setCrystalCell(CrystalCell cell) |
Set the crystal cell
|
void |
setNcsOperators(javax.vecmath.Matrix4d[] ncsOperators) |
Set the NCS operators.
|
void |
setNonStandardCoordFrameConvention(boolean nonStandardCoordFrameConvention) |
Set the non-standard coordinate frame convention field
|
void |
setNonStandardSg(boolean nonStandardSg) |
Set the non-standard space group field
|
void |
setSpaceGroup(SpaceGroup spaceGroup) |
Set the SpaceGroup
|
java.lang.String |
toString() |
public float getA()
public float getB()
public float getC()
public float getAlpha()
public float getBeta()
public float getGamma()
public CrystalCell getCrystalCell()
public void setCrystalCell(CrystalCell cell)
cell
- public SpaceGroup getSpaceGroup()
public void setSpaceGroup(SpaceGroup spaceGroup)
spaceGroup
- @Deprecated public int getZ()
SpaceGroup.getMultiplicity()
and Structure.size()
public javax.vecmath.Matrix4d[] getTransformationsOrthonormal()
SpaceGroup.getNumOperators()
public javax.vecmath.Matrix4d[] getNcsOperators()
public void setNcsOperators(javax.vecmath.Matrix4d[] ncsOperators)
ncsOperators
- public boolean isNonStandardSg()
getSpaceGroup()
will be null.public void setNonStandardSg(boolean nonStandardSg)
nonStandardSg
- public boolean isNonStandardCoordFrameConvention()
public void setNonStandardCoordFrameConvention(boolean nonStandardCoordFrameConvention)
nonStandardCoordFrameConvention
- public java.lang.String toString()
toString
in class java.lang.Object