/*
* 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);
}