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upstream/1.6.2

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xtp_dump.cc @upstream/1.6.2

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/*
 *            Copyright 2009-2019 The VOTCA Development Team
 *                       (http://www.votca.org)
 *
 *      Licensed under the Apache License, Version 2.0 (the "License")
 *
 * You may not use this file except in compliance with the License.
 * You may obtain a copy of the License at
 *
 *              http://www.apache.org/licenses/LICENSE-2.0
 *
 * Unless required by applicable law or agreed to in writing, software
 * distributed under the License is distributed on an "AS IS" BASIS,
 * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
 * See the License for the specific language governing permissions and
 * limitations under the License.
 *
 */

#include <iostream>
#include <stdlib.h>
#include <string>
#include <votca/xtp/extractorfactory.h>
#include <votca/xtp/stateapplication.h>

using namespace std;
using namespace votca;

class XtpDump : public xtp::StateApplication {
 public:
  string ProgramName() override { return "xtp_dump"; }

  void HelpText(ostream& out) override {
    out << "Extracts information from the state file" << endl;
  }
  void HelpText(){};

  void Initialize() override;
  bool EvaluateOptions() override;

 private:
  // void    PrintDescription(string name, HelpOutputType _help_output_type);
};

namespace propt = boost::program_options;

void XtpDump::Initialize() {
  xtp::ExtractorFactory::RegisterAll();
  xtp::StateApplication::Initialize();

  AddProgramOptions("Extractors")("extract,e", propt::value<string>(),
                                  "List of extractors separated by ',' or ' '");
  AddProgramOptions("Extractors")("list,l", "Lists all available extractors");
  AddProgramOptions("Extractors")("description,d", propt::value<string>(),
                                  "Short description of an extractor");
  return;
}

bool XtpDump::EvaluateOptions() {

  if (OptionsMap().count("list")) {
    cout << "Available XTP extractors: \n";
    for (const auto& extract : xtp::Extractors().getObjects()) {
      PrintDescription(std::cout, extract.first, "xtp/xml",
                       Application::HelpShort);
    }
    StopExecution();

    return true;
  }

  if (OptionsMap().count("description")) {
    CheckRequired("description", "no extractor is given");
    tools::Tokenizer tok(OptionsMap()["description"].as<string>(), " ,\n\t");
    // loop over the names in the description string
    for (const string& n : tok) {
      // loop over calculators
      bool printerror = true;

      for (const auto& extract : xtp::Extractors().getObjects()) {
        if (n.compare(extract.first) == 0) {
          PrintDescription(std::cout, extract.first, "xtp/xml",
                           Application::HelpLong);
          printerror = false;
          break;
        }
      }

      if (printerror) {
        cout << "Extractor " << n << " does not exist\n";
      }
    }
    StopExecution();
    return true;
  }

  xtp::StateApplication::EvaluateOptions();
  CheckRequired("extract", "Nothing to do here: Abort.");

  tools::Tokenizer calcs(OptionsMap()["extract"].as<string>(), " ,\n\t");
  for (const string& n : calcs) {

    bool found_calc = false;
    for (const auto& extract : xtp::Extractors().getObjects()) {
      if (n.compare(extract.first) == 0) {
        cout << " This is a XTP app" << endl;
        xtp::StateApplication::SetCalculator(xtp::Extractors().Create(n));
        found_calc = true;
      }
    }

    if (!found_calc) {
      cout << "Extractor " << n << " does not exist\n";
      StopExecution();
    }
  }
  return true;
}

int main(int argc, char** argv) {

  XtpDump xtpdump;
  return xtpdump.Exec(argc, argv);
}