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java.lang.ObjectRdcPanda.BackNoe
public class BackNoe
This class provides functions that involves back-computed NOEs. Written by Jianyang (Michael) Zeng (2005-2009).
Constructor Summary | |
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BackNoe()
Instantiates a new back noe. |
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BackNoe(double csh1,
double csheavy,
double csh2)
Instantiates a new back noe. |
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BackNoe(double csh1,
double csheavy,
double csh2,
double dist,
double inten,
int no1,
int no2,
java.lang.String res1,
java.lang.String res2,
java.lang.String h1,
java.lang.String heavy,
java.lang.String h2)
Instantiates a new back noe. |
Method Summary | |
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void |
addCaNoe(HcchTocsy ca_noe)
Adds the ca noe. |
void |
addHnNoe(HnNoe hn_noe)
Adds the hn noe. |
java.util.Vector |
DeleteRepeat(java.util.Vector vecBackNoe)
delete repeated back-computed NOEs. |
java.util.Vector |
getCaNoeVector()
Gets the ca noe vector. |
double |
getCSH1()
Gets the cS h1. |
double |
getCSH2()
Gets the cS h2. |
double |
getCSHeavy()
Gets the cS heavy. |
double |
getDistance()
Gets the distance. |
java.lang.String |
getFirstResName()
Gets the first res name. |
int |
getFirstResNo()
Gets the first res no. |
java.lang.String |
getH1Name()
Gets the h1 name. |
java.lang.String |
getH2Name()
Gets the h2 name. |
java.lang.String |
getHeavyName()
Gets the heavy name. |
java.util.Vector |
getHnNoeVector()
Gets the hn noe vector. |
double |
getIntensity()
Gets the intensity. |
boolean |
getIsMissing()
Gets the checks if is missing. |
double |
getMissingPenalty()
Gets the missing penalty. |
double |
getMissingProb()
Gets the missing prob. |
double |
getRmsd()
Gets the rmsd. |
double |
getRmsdH1()
Gets the rmsd h1. |
double |
getRmsdH2()
Gets the rmsd h2. |
double |
getRmsdHeavy()
Gets the rmsd heavy. |
java.lang.String |
getSecondResName()
Gets the second res name. |
int |
getSecondResNo()
Gets the second res no. |
void |
setIsMissing(boolean bool)
Sets the checks if is missing. |
void |
setMissingPenalty(double distThresh,
double penalty4SmallDist,
double penalty4LargeDist)
Sets the missing penalty. |
void |
setMissingProb(double pr)
Sets the missing prob. |
void |
setRmsd(double dst)
Sets the rmsd. |
void |
setRmsdAll(double csh1,
double csheavy,
double csh2)
Sets the rmsd all. |
Methods inherited from class java.lang.Object |
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equals, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait |
Constructor Detail |
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public BackNoe()
public BackNoe(double csh1, double csheavy, double csh2)
csh1
- the csh1csheavy
- the csheavycsh2
- the csh2public BackNoe(double csh1, double csheavy, double csh2, double dist, double inten, int no1, int no2, java.lang.String res1, java.lang.String res2, java.lang.String h1, java.lang.String heavy, java.lang.String h2)
csh1
- the csh1csheavy
- the csheavycsh2
- the csh2dist
- the distinten
- the intenno1
- the no1no2
- the no2res1
- the res1res2
- the res2h1
- the h1heavy
- the heavyh2
- the h2Method Detail |
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public void setMissingPenalty(double distThresh, double penalty4SmallDist, double penalty4LargeDist)
distThresh
- the dist threshpenalty4SmallDist
- the penalty4 small distpenalty4LargeDist
- the penalty4 large distpublic void setMissingProb(double pr)
pr
- the new missing probpublic void addHnNoe(HnNoe hn_noe)
hn_noe
- the hn_noepublic void addCaNoe(HcchTocsy ca_noe)
ca_noe
- the ca_noepublic void setRmsd(double dst)
dst
- the new rmsdpublic void setIsMissing(boolean bool)
bool
- the new checks if is missingpublic void setRmsdAll(double csh1, double csheavy, double csh2)
csh1
- the csh1csheavy
- the csheavycsh2
- the csh2public double getRmsdH1()
public double getRmsdHeavy()
public double getRmsdH2()
public double getRmsd()
public double getMissingPenalty()
public double getDistance()
public double getIntensity()
public java.lang.String getH1Name()
public java.lang.String getHeavyName()
public java.lang.String getH2Name()
public java.lang.String getFirstResName()
public java.lang.String getSecondResName()
public double getCSH1()
public double getCSHeavy()
public double getCSH2()
public boolean getIsMissing()
public int getFirstResNo()
public double getMissingProb()
public int getSecondResNo()
public java.util.Vector getHnNoeVector()
public java.util.Vector getCaNoeVector()
public java.util.Vector DeleteRepeat(java.util.Vector vecBackNoe)
vecBackNoe
- original back-computed NOEs
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