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Revert "grouping location fields and correcting value (leading slash)"
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This reverts commit 18b53bf.
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egonw committed Mar 24, 2013
1 parent 637f8cf commit 7ff4641
Showing 1 changed file with 3 additions and 5 deletions.
Expand Up @@ -60,22 +60,20 @@
*/
public class MMFF94BasedParameterSetReader {

private static final String configFile = "/org/openscience/cdk/modeling/forcefield/data/mmff94.prm";
private static final String configFilevdW = "/org/openscience/cdk/modeling/forcefield/data/mmffvdw.prm";
private static final String configFileDFSB = "/org/openscience/cdk/modeling/forcefield/data/mmffdfsb.par";

private String configFile = "org/openscience/cdk/modeling/forcefield/data/mmff94.prm";
private InputStream ins = null;
private Map<String,Object> parameterSet;
private List<IAtomType> atomTypes;
private StringTokenizer st;
private String key = "";
private String sid;


private String configFilevdW = "org/openscience/cdk/modeling/forcefield/data/mmffvdw.prm";
private InputStream insvdW = null;
private StringTokenizer stvdW;
private String sidvdW;

private String configFileDFSB = "org/openscience/cdk/modeling/forcefield/data/mmffdfsb.par";
private InputStream insDFSB;
private StringTokenizer stDFSB;

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