Class OutOfPlane
- java.lang.Object
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- com.actelion.research.chem.forcefield.mmff.table.OutOfPlane
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- All Implemented Interfaces:
Searchable
public class OutOfPlane extends java.lang.Object implements Searchable
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Constructor Summary
Constructors Constructor Description OutOfPlane(Tables t, java.lang.String csvpath)
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description int
get(int row, int col)
This should get an integer value given a column and row.double
getKoop(int index)
double
getKoop(MMFFMolecule mol, int ac, int a1, int a2, int a3)
Returns the Koop parameters from the OutOfPlane table.int
length()
This function should return the total number of rows in a searchable table.
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Constructor Detail
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OutOfPlane
public OutOfPlane(Tables t, java.lang.String csvpath)
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Method Detail
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get
public int get(int row, int col)
Description copied from interface:Searchable
This should get an integer value given a column and row. The binary search function only searches columns containing integers for a value.- Specified by:
get
in interfaceSearchable
- Parameters:
row
- The row in the table.col
- The column in the row to return.- Returns:
- The value at 'col' in 'row'.
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length
public int length()
Description copied from interface:Searchable
This function should return the total number of rows in a searchable table. This is normally just the length of the array.- Specified by:
length
in interfaceSearchable
- Returns:
- The number of elements that can be searched.
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getKoop
public double getKoop(MMFFMolecule mol, int ac, int a1, int a2, int a3)
Returns the Koop parameters from the OutOfPlane table.- Parameters:
mol
- The molecule that the atoms are in.ac
- The central atom.a1
- Atom neighbour 1.a2
- Atom neighbour 2.a3
- Atom neighbour 3.- Returns:
- The Koop floating point value.
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getKoop
public double getKoop(int index)
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