Class ModelledSubgroup
Java class for anonymous complex type.
The following schema fragment specifies the expected content contained within this class.
<complexType> <complexContent> <restriction base="{http://www.w3.org/2001/XMLSchema}anyType"> <sequence> <element ref="{}angle-outlier" maxOccurs="unbounded" minOccurs="0"/> <element ref="{}clash" maxOccurs="unbounded" minOccurs="0"/> <element ref="{}bond-outlier" maxOccurs="unbounded" minOccurs="0"/> <element ref="{}mog-angle-outlier" maxOccurs="unbounded" minOccurs="0"/> <choice> <element ref="{}symm-clash" maxOccurs="unbounded" minOccurs="0"/> <element ref="{}mog-bond-outlier" maxOccurs="unbounded" minOccurs="0"/> </choice> </sequence> <attribute name="NatomsEDS" use="required" type="{http://www.w3.org/2001/XMLSchema}integer" /> <attribute name="altcode" use="required" type="{http://www.w3.org/2001/XMLSchema}anySimpleType" /> <attribute name="avgoccu" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" /> <attribute name="chain" use="required" type="{http://www.w3.org/2001/XMLSchema}NCName" /> <attribute name="ent" use="required" type="{http://www.w3.org/2001/XMLSchema}integer" /> <attribute name="flippable-sidechain" type="{http://www.w3.org/2001/XMLSchema}integer" /> <attribute name="icode" use="required" type="{http://www.w3.org/2001/XMLSchema}anySimpleType" /> <attribute name="ligRSRZ" type="{http://www.w3.org/2001/XMLSchema}decimal" /> <attribute name="ligRSRnbrMean" type="{http://www.w3.org/2001/XMLSchema}decimal" /> <attribute name="ligRSRnbrStdev" type="{http://www.w3.org/2001/XMLSchema}decimal" /> <attribute name="ligRSRnumnbrs" type="{http://www.w3.org/2001/XMLSchema}integer" /> <attribute name="model" use="required" type="{http://www.w3.org/2001/XMLSchema}integer" /> <attribute name="mogul-ignore" type="{http://www.w3.org/2001/XMLSchema}NCName" /> <attribute name="num-H-reduce" type="{http://www.w3.org/2001/XMLSchema}integer" /> <attribute name="owab" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" /> <attribute name="phi" type="{http://www.w3.org/2001/XMLSchema}decimal" /> <attribute name="psi" type="{http://www.w3.org/2001/XMLSchema}decimal" /> <attribute name="rama" type="{http://www.w3.org/2001/XMLSchema}NCName" /> <attribute name="resname" use="required" type="{http://www.w3.org/2001/XMLSchema}NCName" /> <attribute name="resnum" use="required" type="{http://www.w3.org/2001/XMLSchema}integer" /> <attribute name="rota" type="{http://www.w3.org/2001/XMLSchema}anySimpleType" /> <attribute name="rscc" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" /> <attribute name="rsr" use="required" type="{http://www.w3.org/2001/XMLSchema}decimal" /> <attribute name="rsrz" type="{http://www.w3.org/2001/XMLSchema}decimal" /> <attribute name="said" use="required" type="{http://www.w3.org/2001/XMLSchema}NCName" /> <attribute name="seq" use="required" type="{http://www.w3.org/2001/XMLSchema}NMTOKEN" /> </restriction> </complexContent> </complexType>
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Field Summary
Modifier and TypeFieldDescriptionprotected String
protected List<AngleOutlier>
protected BigDecimal
protected List<BondOutlier>
protected String
protected BigInteger
protected BigInteger
protected String
protected BigDecimal
protected BigDecimal
protected BigInteger
protected BigDecimal
protected BigInteger
protected List<MogAngleOutlier>
protected List<MogBondOutlier>
protected String
protected BigInteger
protected BigInteger
protected BigDecimal
protected BigDecimal
protected BigDecimal
protected String
protected String
protected BigInteger
protected String
protected BigDecimal
protected BigDecimal
protected BigDecimal
protected String
protected String
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Constructor Summary
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Method Summary
Modifier and TypeMethodDescriptionGets the value of the altcode property.Gets the value of the angleOutlier property.Gets the value of the avgoccu property.Gets the value of the bondOutlier property.getChain()
Gets the value of the chain property.getClash()
Gets the value of the clash property.getEnt()
Gets the value of the ent property.Gets the value of the flippableSidechain property.getIcode()
Gets the value of the icode property.Gets the value of the ligRSRnbrMean property.Gets the value of the ligRSRnbrStdev property.Gets the value of the ligRSRnumnbrs property.Gets the value of the ligRSRZ property.getModel()
Gets the value of the model property.Gets the value of the mogAngleOutlier property.Gets the value of the mogBondOutlier property.Gets the value of the mogulIgnore property.Gets the value of the natomsEDS property.Gets the value of the numHReduce property.getOwab()
Gets the value of the owab property.getPhi()
Gets the value of the phi property.getPsi()
Gets the value of the psi property.getRama()
Gets the value of the rama property.Gets the value of the resname property.Gets the value of the resnum property.getRota()
Gets the value of the rota property.getRscc()
Gets the value of the rscc property.getRsr()
Gets the value of the rsr property.getRsrz()
Gets the value of the rsrz property.getSaid()
Gets the value of the said property.getSeq()
Gets the value of the seq property.Gets the value of the symmClash property.void
setAltcode
(String value) Sets the value of the altcode property.void
setAvgoccu
(BigDecimal value) Sets the value of the avgoccu property.void
Sets the value of the chain property.void
setEnt
(BigInteger value) Sets the value of the ent property.void
setFlippableSidechain
(BigInteger value) Sets the value of the flippableSidechain property.void
Sets the value of the icode property.void
setLigRSRnbrMean
(BigDecimal value) Sets the value of the ligRSRnbrMean property.void
setLigRSRnbrStdev
(BigDecimal value) Sets the value of the ligRSRnbrStdev property.void
setLigRSRnumnbrs
(BigInteger value) Sets the value of the ligRSRnumnbrs property.void
setLigRSRZ
(BigDecimal value) Sets the value of the ligRSRZ property.void
setModel
(BigInteger value) Sets the value of the model property.void
setMogulIgnore
(String value) Sets the value of the mogulIgnore property.void
setNatomsEDS
(BigInteger value) Sets the value of the natomsEDS property.void
setNumHReduce
(BigInteger value) Sets the value of the numHReduce property.void
setOwab
(BigDecimal value) Sets the value of the owab property.void
setPhi
(BigDecimal value) Sets the value of the phi property.void
setPsi
(BigDecimal value) Sets the value of the psi property.void
Sets the value of the rama property.void
setResname
(String value) Sets the value of the resname property.void
setResnum
(BigInteger value) Sets the value of the resnum property.void
Sets the value of the rota property.void
setRscc
(BigDecimal value) Sets the value of the rscc property.void
setRsr
(BigDecimal value) Sets the value of the rsr property.void
setRsrz
(BigDecimal value) Sets the value of the rsrz property.void
Sets the value of the said property.void
Sets the value of the seq property.
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Field Details
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angleOutlier
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clash
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bondOutlier
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mogAngleOutlier
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symmClash
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mogBondOutlier
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natomsEDS
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altcode
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avgoccu
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chain
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ent
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flippableSidechain
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icode
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ligRSRZ
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ligRSRnbrMean
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ligRSRnbrStdev
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ligRSRnumnbrs
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model
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mogulIgnore
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numHReduce
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owab
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phi
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psi
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rama
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resname
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resnum
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rota
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rscc
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rsr
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rsrz
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said
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seq
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Constructor Details
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ModelledSubgroup
public ModelledSubgroup()
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Method Details
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getAngleOutlier
Gets the value of the angleOutlier property.This accessor method returns a reference to the live list, not a snapshot. Therefore any modification you make to the returned list will be present inside the JAXB object. This is why there is not a
set
method for the angleOutlier property.For example, to add a new item, do as follows:
getAngleOutlier().add(newItem);
Objects of the following type(s) are allowed in the list
AngleOutlier
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getClash
Gets the value of the clash property.This accessor method returns a reference to the live list, not a snapshot. Therefore any modification you make to the returned list will be present inside the JAXB object. This is why there is not a
set
method for the clash property.For example, to add a new item, do as follows:
getClash().add(newItem);
Objects of the following type(s) are allowed in the list
Clash
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getBondOutlier
Gets the value of the bondOutlier property.This accessor method returns a reference to the live list, not a snapshot. Therefore any modification you make to the returned list will be present inside the JAXB object. This is why there is not a
set
method for the bondOutlier property.For example, to add a new item, do as follows:
getBondOutlier().add(newItem);
Objects of the following type(s) are allowed in the list
BondOutlier
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getMogAngleOutlier
Gets the value of the mogAngleOutlier property.This accessor method returns a reference to the live list, not a snapshot. Therefore any modification you make to the returned list will be present inside the JAXB object. This is why there is not a
set
method for the mogAngleOutlier property.For example, to add a new item, do as follows:
getMogAngleOutlier().add(newItem);
Objects of the following type(s) are allowed in the list
MogAngleOutlier
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getSymmClash
Gets the value of the symmClash property.This accessor method returns a reference to the live list, not a snapshot. Therefore any modification you make to the returned list will be present inside the JAXB object. This is why there is not a
set
method for the symmClash property.For example, to add a new item, do as follows:
getSymmClash().add(newItem);
Objects of the following type(s) are allowed in the list
SymmClash
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getMogBondOutlier
Gets the value of the mogBondOutlier property.This accessor method returns a reference to the live list, not a snapshot. Therefore any modification you make to the returned list will be present inside the JAXB object. This is why there is not a
set
method for the mogBondOutlier property.For example, to add a new item, do as follows:
getMogBondOutlier().add(newItem);
Objects of the following type(s) are allowed in the list
MogBondOutlier
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getNatomsEDS
Gets the value of the natomsEDS property.- Returns:
- possible object is
BigInteger
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setNatomsEDS
Sets the value of the natomsEDS property.- Parameters:
value
- allowed object isBigInteger
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getAltcode
Gets the value of the altcode property.- Returns:
- possible object is
String
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setAltcode
Sets the value of the altcode property.- Parameters:
value
- allowed object isString
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getAvgoccu
Gets the value of the avgoccu property.- Returns:
- possible object is
BigDecimal
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setAvgoccu
Sets the value of the avgoccu property.- Parameters:
value
- allowed object isBigDecimal
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getChain
Gets the value of the chain property.- Returns:
- possible object is
String
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setChain
Sets the value of the chain property.- Parameters:
value
- allowed object isString
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getEnt
Gets the value of the ent property.- Returns:
- possible object is
BigInteger
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setEnt
Sets the value of the ent property.- Parameters:
value
- allowed object isBigInteger
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getFlippableSidechain
Gets the value of the flippableSidechain property.- Returns:
- possible object is
BigInteger
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setFlippableSidechain
Sets the value of the flippableSidechain property.- Parameters:
value
- allowed object isBigInteger
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getIcode
Gets the value of the icode property.- Returns:
- possible object is
String
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setIcode
Sets the value of the icode property.- Parameters:
value
- allowed object isString
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getLigRSRZ
Gets the value of the ligRSRZ property.- Returns:
- possible object is
BigDecimal
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setLigRSRZ
Sets the value of the ligRSRZ property.- Parameters:
value
- allowed object isBigDecimal
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getLigRSRnbrMean
Gets the value of the ligRSRnbrMean property.- Returns:
- possible object is
BigDecimal
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setLigRSRnbrMean
Sets the value of the ligRSRnbrMean property.- Parameters:
value
- allowed object isBigDecimal
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getLigRSRnbrStdev
Gets the value of the ligRSRnbrStdev property.- Returns:
- possible object is
BigDecimal
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setLigRSRnbrStdev
Sets the value of the ligRSRnbrStdev property.- Parameters:
value
- allowed object isBigDecimal
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getLigRSRnumnbrs
Gets the value of the ligRSRnumnbrs property.- Returns:
- possible object is
BigInteger
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setLigRSRnumnbrs
Sets the value of the ligRSRnumnbrs property.- Parameters:
value
- allowed object isBigInteger
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getModel
Gets the value of the model property.- Returns:
- possible object is
BigInteger
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setModel
Sets the value of the model property.- Parameters:
value
- allowed object isBigInteger
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getMogulIgnore
Gets the value of the mogulIgnore property.- Returns:
- possible object is
String
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setMogulIgnore
Sets the value of the mogulIgnore property.- Parameters:
value
- allowed object isString
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getNumHReduce
Gets the value of the numHReduce property.- Returns:
- possible object is
BigInteger
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setNumHReduce
Sets the value of the numHReduce property.- Parameters:
value
- allowed object isBigInteger
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getOwab
Gets the value of the owab property.- Returns:
- possible object is
BigDecimal
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setOwab
Sets the value of the owab property.- Parameters:
value
- allowed object isBigDecimal
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getPhi
Gets the value of the phi property.- Returns:
- possible object is
BigDecimal
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setPhi
Sets the value of the phi property.- Parameters:
value
- allowed object isBigDecimal
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getPsi
Gets the value of the psi property.- Returns:
- possible object is
BigDecimal
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setPsi
Sets the value of the psi property.- Parameters:
value
- allowed object isBigDecimal
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getRama
Gets the value of the rama property.- Returns:
- possible object is
String
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setRama
Sets the value of the rama property.- Parameters:
value
- allowed object isString
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getResname
Gets the value of the resname property.- Returns:
- possible object is
String
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setResname
Sets the value of the resname property.- Parameters:
value
- allowed object isString
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getResnum
Gets the value of the resnum property.- Returns:
- possible object is
BigInteger
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setResnum
Sets the value of the resnum property.- Parameters:
value
- allowed object isBigInteger
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getRota
Gets the value of the rota property.- Returns:
- possible object is
String
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setRota
Sets the value of the rota property.- Parameters:
value
- allowed object isString
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getRscc
Gets the value of the rscc property.- Returns:
- possible object is
BigDecimal
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setRscc
Sets the value of the rscc property.- Parameters:
value
- allowed object isBigDecimal
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getRsr
Gets the value of the rsr property.- Returns:
- possible object is
BigDecimal
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setRsr
Sets the value of the rsr property.- Parameters:
value
- allowed object isBigDecimal
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getRsrz
Gets the value of the rsrz property.- Returns:
- possible object is
BigDecimal
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setRsrz
Sets the value of the rsrz property.- Parameters:
value
- allowed object isBigDecimal
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getSaid
Gets the value of the said property.- Returns:
- possible object is
String
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setSaid
Sets the value of the said property.- Parameters:
value
- allowed object isString
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getSeq
Gets the value of the seq property.- Returns:
- possible object is
String
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setSeq
Sets the value of the seq property.- Parameters:
value
- allowed object isString
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