test_manager.cpp

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//////////////////////////////////////////////////////////////////////////////////////
// This file is distributed under the University of Illinois/NCSA Open Source License.
// See LICENSE file in top directory for details.
//
// Copyright (c) 2017 Jeongnim Kim and QMCPACK developers.
//
// File developed by: Mark Dewing, mdewin@anl.gov, Argonne National Laboratory
//
// File created by: Mark Dewing, mdewing@anl.gov, Argonne National Laboratory
//////////////////////////////////////////////////////////////////////////////////////


#include "catch.hpp"

#include "Message/Communicate.h"
#include "OhmmsData/Libxml2Doc.h"
#include "Particle/MCWalkerConfiguration.h"
#include "QMCHamiltonians/QMCHamiltonian.h"
#include "Estimators/EstimatorManagerBase.h"
#include "Estimators/tests/FakeEstimator.h"
#include "Estimators/ScalarEstimatorBase.h"
#include "Estimators/tests/EstimatorManagerBaseTest.h"

#include <stdio.h>
#include <sstream>

namespace qmcplusplus
{
TEST_CASE("EstimatorManagerBase", "[estimators]")
{
  Communicate* c = OHMMS::Controller;

  EstimatorManagerBase em(c);

  REQUIRE(em.size() == 0);

  // Must create on heap since the EstimatorManager destructor deletes all estimators
  auto fake_est_uptr = std::make_unique<FakeEstimator>();
  auto fake_est      = fake_est_uptr.get();

  em.add(std::move(fake_est_uptr), "fake");

  ScalarEstimatorBase* est2 = em.getEstimator("fake");
  FakeEstimator* fake_est2  = dynamic_cast<FakeEstimator*>(est2);
  REQUIRE(fake_est2 != NULL);
  REQUIRE(fake_est2 == fake_est);

  // Check the copy constructor
  EstimatorManagerBase em2(em);
  REQUIRE(em.size() == 1);

  em.start(2, true);

  em.stop();
  // compute averages over threads
  //em.stop();
  em.reset();
}

TEST_CASE("Estimator adhoc addVector operator", "[estimators]")
{
  int num_scalars = 3;
  std::vector<double> vec_a{1.0, 2.0, 3.0};
  std::vector<double> vec_b{2.0, 3.0, 4.0};
  std::vector<std::vector<double>> est{vec_a, vec_b};
  auto addVectors = [](const auto& vec_a, const auto& vec_b) {
    std::vector<ScalarEstimatorBase::RealType> result_vector(vec_a.size(), 0.0);
    for (int i = 0; i < vec_a.size(); ++i)
      result_vector[i] = vec_a[i] + vec_b[i];
    return result_vector;
  };

  std::vector<double> reduced_scalars(num_scalars);
  reduced_scalars = std::accumulate(est.begin(), est.end(), std::vector<double>(num_scalars, 0.0), addVectors);
  std::vector<double> correct{3.0, 5.0, 7.0};
  REQUIRE(reduced_scalars == correct);
}

} // namespace qmcplusplus