Package pl.poznan.put.torsion
Class AtomPair
- java.lang.Object
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- pl.poznan.put.torsion.AtomPair
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- All Implemented Interfaces:
Comparable<AtomPair>
- Direct Known Subclasses:
ImmutableAtomPair
@Immutable public abstract class AtomPair extends Object implements Comparable<AtomPair>
A pair of atoms.
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Constructor Summary
Constructors Constructor Description AtomPair()
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description protected BondLengthbondLength()intcompareTo(AtomPair t)protected doubledistance()StringgenerateValidationMessage()Generate a validation message if the distance between this atom pair is larger than 150% of the maximum expected bond length (seeBond.length(AtomType, AtomType)).
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Method Detail
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generateValidationMessage
public final String generateValidationMessage()
Generate a validation message if the distance between this atom pair is larger than 150% of the maximum expected bond length (seeBond.length(AtomType, AtomType)).- Returns:
- A message detailing the invalid distance or empty string ("") if all is fine.
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compareTo
public final int compareTo(AtomPair t)
- Specified by:
compareToin interfaceComparable<AtomPair>
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distance
@Lazy protected double distance()
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bondLength
@Lazy protected BondLength bondLength()
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