Package org.jmol.api

Examples of org.jmol.api.MinimizerInterface


    int steps = Integer.MAX_VALUE;
    float crit = 0;
    boolean addHydrogen = false;
    boolean isSilent = false;
    BitSet bsFixed = null;
    MinimizerInterface minimizer = viewer.getMinimizer(false);
    // may be null
    for (int i = 1; i < statementLength; i++)
      switch (getToken(i).tok) {
      case Token.addhydrogens:
        addHydrogen = true;
        continue;
      case Token.cancel:
      case Token.stop:
        checkLength(2);
        if (isSyntaxCheck || minimizer == null)
          return;
        minimizer.setProperty(parameterAsString(i), null);
        return;
      case Token.clear:
        checkLength(2);
        if (isSyntaxCheck || minimizer == null)
          return;
        minimizer.setProperty("clear", null);
        return;
      case Token.constraint:
        if (i != 1)
          error(ERROR_invalidArgument);
        int n = 0;
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