Use OPTIMIZED evaluator by default when supported.

This closes #8.

Author: pavoljuhas

src/diffpy/srreal/BaseDebyeSum.cpp

@@ -54,6 +54,7 @@ BaseDebyeSum::BaseDebyeSum()
     this->setQmax(DEFAULT_QGRID_QMAX);
     this->setQstep(DEFAULT_QGRID_QSTEP);
     this->setDebyePrecision(DEFAULT_DEBYE_PRECISION);
+    this->setEvaluatorType(OPTIMIZED);
     // attributes
     this->registerDoubleAttribute("debyeprecision", this,
             &BaseDebyeSum::getDebyePrecision,

src/diffpy/srreal/BondCalculator.cpp

@@ -102,6 +102,7 @@ class BondOp {
 BondCalculator::BondCalculator()
 {
     this->setRmax(DEFAULT_BONDCALCULATOR_RMAX);
+    this->setEvaluatorType(OPTIMIZED);
     mevaluator->setFlag(USEFULLSUM, true);
     mevaluator->setFlag(FIXEDSITEINDEX, true);
 }

src/diffpy/srreal/PDFCalculator.cpp

@@ -57,6 +57,8 @@ PDFCalculator::PDFCalculator()
     // cache all internal data according to an empty structure.
     // this rebuilds mstructure_cache and mrlimits_cache.
     this->setStructure(mstructure);
+    // setup the OPTIMIZED evaluator last so that its validation passes.
+    this->setEvaluatorType(OPTIMIZED);
     // attributes
     this->registerDoubleAttribute("qmin", this,
             &PDFCalculator::getQmin, &PDFCalculator::setQmin);