Package org.biojava.nbio.structure.align
Class StrucAligParameters
- java.lang.Object
-
- org.biojava.nbio.structure.align.StrucAligParameters
-
public class StrucAligParameters extends Object
A class that contains all the parameters of the structure alignment algorithm.- Since:
- 1.5
- Version:
- %I% %G%
- Author:
- Andreas Prlic
-
-
Constructor Summary
Constructors Constructor Description StrucAligParameters()
-
Method Summary
All Methods Static Methods Instance Methods Concrete Methods Modifier and Type Method Description int
getAngleDiff()
float
getCreate_co()
static StrucAligParameters
getDBSearchParameters()
static StrucAligParameters
getDefaultParameters()
float
getDensityCutoff()
int
getDiagonalDistance()
int
getDiagonalDistance2()
float
getEvalCutoff()
float
getFragCompat()
int
getFragmentLength()
float
getFragmentMiniDistance()
float
getGapExtension()
float
getGapOpen()
int
getInitialK()
double
getJoinRMSCutoff()
int
getMaxIter()
int
getMaxrefine()
int
getPermutationSize()
int
getSeedFragmentLength()
float
getSeedRmsdCutoff()
String[]
getUsedAtomNames()
boolean
isDoAngleCheck()
boolean
isDoDensityCheck()
boolean
isDoDistanceCheck()
boolean
isDoRMSCheck()
boolean
isJoinFast()
boolean
isJoinPlo()
boolean
reduceInitialFragments()
if this is set to false, the time spent to joint the initial fragments (step 2) is increased. - particular for large structures this increases calc. time a lot.void
setAngleDiff(int angleDiff)
void
setCreate_co(float create_co)
void
setDensityCutoff(float densityCutoff)
void
setDiagonalDistance(int diagonalDistance)
void
setDiagonalDistance2(int diagonalDistance2)
void
setDoAngleCheck(boolean doAngleCheck)
void
setDoDensityCheck(boolean doDensityCheck)
void
setDoDistanceCheck(boolean doDistanceCheck)
void
setDoRMSCheck(boolean doRMSCheck)
void
setEvalCutoff(float evalCutoff)
void
setFragCompat(float fragCompat)
void
setFragmentLength(int fragmentLength)
void
setFragmentMiniDistance(float fragmentMiniDistance)
void
setGapExtension(float gapExtension)
void
setGapOpen(float gapOpen)
void
setInitialK(int initialK)
void
setJoinFast(boolean fastJoin)
void
setJoinPlo(boolean joinPlo)
void
setJoinRMSCutoff(double joinRMSCutoff)
void
setMaxIter(int maxIter)
void
setMaxrefine(int maxrefine)
void
setPermutationSize(int permutationSize)
void
setReduceInitialFragments(boolean reduceInitialFragments)
void
setSeedFragmentLength(int seedFragmentLength)
void
setSeedRmsdCutoff(float seedRmsdCutoff)
void
setUsedAtomNames(String[] usedAtomNames)
String
toString()
-
-
-
Constructor Detail
-
StrucAligParameters
public StrucAligParameters()
-
-
Method Detail
-
getDefaultParameters
public static StrucAligParameters getDefaultParameters()
-
getDBSearchParameters
public static StrucAligParameters getDBSearchParameters()
-
getDensityCutoff
public float getDensityCutoff()
-
setDensityCutoff
public void setDensityCutoff(float densityCutoff)
-
getInitialK
public int getInitialK()
-
setInitialK
public void setInitialK(int initialK)
-
getSeedFragmentLength
public int getSeedFragmentLength()
-
isJoinFast
public boolean isJoinFast()
-
setJoinFast
public void setJoinFast(boolean fastJoin)
-
isJoinPlo
public boolean isJoinPlo()
-
setJoinPlo
public void setJoinPlo(boolean joinPlo)
-
setSeedFragmentLength
public void setSeedFragmentLength(int seedFragmentLength)
-
getSeedRmsdCutoff
public float getSeedRmsdCutoff()
-
setSeedRmsdCutoff
public void setSeedRmsdCutoff(float seedRmsdCutoff)
-
isDoAngleCheck
public boolean isDoAngleCheck()
-
setDoAngleCheck
public void setDoAngleCheck(boolean doAngleCheck)
-
isDoDensityCheck
public boolean isDoDensityCheck()
-
setDoDensityCheck
public void setDoDensityCheck(boolean doDensityCheck)
-
isDoDistanceCheck
public boolean isDoDistanceCheck()
-
setDoDistanceCheck
public void setDoDistanceCheck(boolean doDistanceCheck)
-
isDoRMSCheck
public boolean isDoRMSCheck()
-
setDoRMSCheck
public void setDoRMSCheck(boolean doRMSCheck)
-
getJoinRMSCutoff
public double getJoinRMSCutoff()
-
setJoinRMSCutoff
public void setJoinRMSCutoff(double joinRMSCutoff)
-
getEvalCutoff
public float getEvalCutoff()
-
setEvalCutoff
public void setEvalCutoff(float evalCutoff)
-
getPermutationSize
public int getPermutationSize()
-
setPermutationSize
public void setPermutationSize(int permutationSize)
-
getGapExtension
public float getGapExtension()
-
setGapExtension
public void setGapExtension(float gapExtension)
-
getGapOpen
public float getGapOpen()
-
setGapOpen
public void setGapOpen(float gapOpen)
-
getMaxIter
public int getMaxIter()
-
setMaxIter
public void setMaxIter(int maxIter)
-
getCreate_co
public float getCreate_co()
-
setCreate_co
public void setCreate_co(float create_co)
-
reduceInitialFragments
public boolean reduceInitialFragments()
if this is set to false, the time spent to joint the initial fragments (step 2) is increased. - particular for large structures this increases calc. time a lot. advantage: more combinations of fragments are used.- Returns:
- a flag if the inital fragments should be reduced
-
setReduceInitialFragments
public void setReduceInitialFragments(boolean reduceInitialFragments)
-
getAngleDiff
public int getAngleDiff()
-
setAngleDiff
public void setAngleDiff(int angleDiff)
-
getFragCompat
public float getFragCompat()
-
setFragCompat
public void setFragCompat(float fragCompat)
-
getMaxrefine
public int getMaxrefine()
-
setMaxrefine
public void setMaxrefine(int maxrefine)
-
getUsedAtomNames
public String[] getUsedAtomNames()
-
setUsedAtomNames
public void setUsedAtomNames(String[] usedAtomNames)
-
getFragmentLength
public int getFragmentLength()
-
setFragmentLength
public void setFragmentLength(int fragmentLength)
-
getDiagonalDistance
public int getDiagonalDistance()
-
setDiagonalDistance
public void setDiagonalDistance(int diagonalDistance)
-
getDiagonalDistance2
public int getDiagonalDistance2()
-
setDiagonalDistance2
public void setDiagonalDistance2(int diagonalDistance2)
-
getFragmentMiniDistance
public float getFragmentMiniDistance()
-
setFragmentMiniDistance
public void setFragmentMiniDistance(float fragmentMiniDistance)
-
-