com.actelion.research.chem.forcefield.mmff.table.HerschbachLaurie Maven / Gradle / Ivy

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package com.actelion.research.chem.forcefield.mmff.table;

import com.actelion.research.chem.forcefield.mmff.Csv;
import com.actelion.research.chem.forcefield.mmff.Tables;

/**
 * Table for Herschbach-Laurie version of Badger's rule. This table
 * provides parameters used in the empirical calculation of bond
 * stretching parameters.
 */
public final class HerschbachLaurie implements com.actelion.research.chem.forcefield.mmff.Searchable {
    private final Object[][] table;

    public HerschbachLaurie(Tables t, String csvpath) {
        table = Csv.readFile(csvpath);
    }

    @Override
    public int get(int row, int col) {
        return ((Number) table[row][col]).intValue();
    }

    @Override
    public int length() {
        return table.length;
    }

    /**
     * Gets a floating point value from a given row and column.
     *  @param row The row to fetch.
     *  @param col The column in the row to fetch.
     *  @return The floating point value at (row,col).
     */
    public double fget(int row, int col) {
        return ((Number) table[row][col]).doubleValue();
    }
}