Class CovRad
- java.lang.Object
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- com.actelion.research.chem.forcefield.mmff.table.CovRad
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- All Implemented Interfaces:
Searchable
public final class CovRad extends java.lang.Object implements Searchable
CovRad table, used in the bond stretch empirical calculations of 'kb' and 'r0'.
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description double
chi(int index)
Returns the 'chi' (or pauEle) parameter from the table at the given index.int
get(int row, int col)
This should get an integer value given a column and row.int
length()
This function should return the total number of rows in a searchable table.double
r0(int index)
Returns the 'r0' (or covRad) parameter from the table given an index.
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Constructor Detail
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CovRad
public CovRad(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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r0
public double r0(int index)
Returns the 'r0' (or covRad) parameter from the table given an index.- Parameters:
index
- The index in the table.- Returns:
- The value of 'r0'.
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chi
public double chi(int index)
Returns the 'chi' (or pauEle) parameter from the table at the given index.- Parameters:
index
- The index in the table.- Returns:
- The value of 'chi'.
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