/*
* 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 <boost/algorithm/string.hpp>
#include <boost/lexical_cast.hpp>
#include <numeric>
#include <set>
#include <votca/tools/tokenizer.h>
#include <votca/xtp/IndexParser.h>
namespace votca {
namespace xtp {
std::vector<Index> IndexParser::CreateIndexVector(
const std::string& Ids) const {
std::vector<Index> result;
tools::Tokenizer tok(Ids, " ,\n\t");
std::vector<std::string> results;
tok.ToVector(results);
const std::string delimiter = ":";
for (std::string s : results) {
if (s.find(delimiter) != std::string::npos) {
std::string copy_s = s;
try {
Index start =
boost::lexical_cast<Index>(s.substr(0, s.find(delimiter)));
Index stop = boost::lexical_cast<Index>(
s.erase(0, s.find(delimiter) + delimiter.length()));
for (Index i = start; i <= stop; i++) {
result.push_back(i);
}
} catch (boost::bad_lexical_cast&) {
throw std::runtime_error("Could not convert " + copy_s +
" to range of integers.");
}
} else {
try {
result.push_back(boost::lexical_cast<Index>(s));
} catch (boost::bad_lexical_cast&) {
throw std::runtime_error("Could not convert " + s + " to integer.");
}
}
}
// Eliminates duplicates and sorts the vector
std::set<Index> s(result.begin(), result.end());
result.assign(s.begin(), s.end());
return result;
}
std::string IndexParser::CreateIndexString(
const std::vector<Index>& indeces) const {
std::set<Index> s(indeces.begin(), indeces.end());
std::vector<Index> sorted_unique(s.begin(), s.end());
std::string result = "";
if (sorted_unique.empty()) {
return result;
}
std::vector<Index> difference(sorted_unique.size() + 1);
difference.back() = 0;
std::adjacent_difference(sorted_unique.begin(), sorted_unique.end(),
difference.begin());
bool range_started = false;
Index startindex;
for (Index i = 0; i < Index(sorted_unique.size()); i++) {
if (difference[i + 1] == 1) {
if (range_started) {
continue;
} else {
range_started = true;
startindex = sorted_unique[i];
}
} else {
if (range_started) {
result += std::to_string(startindex) + ":" +
(std::to_string(sorted_unique[i])) + " ";
range_started = false;
} else {
result += (std::to_string(sorted_unique[i])) + " ";
}
}
}
boost::trim(result);
return result;
}
} // namespace xtp
} // namespace votca