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 doublechi(int index)Returns the 'chi' (or pauEle) parameter from the table at the given index.intget(int row, int col)This should get an integer value given a column and row.intlength()This function should return the total number of rows in a searchable table.doubler0(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:SearchableThis should get an integer value given a column and row. The binary search function only searches columns containing integers for a value.- Specified by:
getin 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:SearchableThis function should return the total number of rows in a searchable table. This is normally just the length of the array.- Specified by:
lengthin 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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