Class HerschbachLaurie
- java.lang.Object
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- com.actelion.research.chem.forcefield.mmff.table.HerschbachLaurie
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- All Implemented Interfaces:
Searchable
public final class HerschbachLaurie extends java.lang.Object implements Searchable
Table for Herschbach-Laurie version of Badger's rule. This table provides parameters used in the empirical calculation of bond stretching parameters.
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Constructor Summary
Constructors Constructor Description HerschbachLaurie(Tables t, java.lang.String csvpath)
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description double
fget(int row, int col)
Gets a floating point value from a given row and column.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.
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Constructor Detail
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HerschbachLaurie
public HerschbachLaurie(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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fget
public double fget(int row, int col)
Gets a floating point value from a given row and column.- Parameters:
row
- The row to fetch.col
- The column in the row to fetch.- Returns:
- The floating point value at (row,col).
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