/*
 *            Copyright 2009-2018 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.
 *
 */
/// For earlier commit history see ctp commit 77795ea591b29e664153f9404c8655ba28dc14e9

#include <iostream>
#include <votca/xtp/qmnblist.h>
#include <votca/tools/globals.h>
#include <votca/xtp/topology.h>

using namespace std;

namespace votca { namespace xtp {

  QMPair *QMNBList::Add(Segment* seg1, Segment* seg2,bool safe) {

    if (safe){
      if (this->FindPair(seg1, seg2) != NULL) {
        throw std::runtime_error("Critical bug: pair already exists");
      }
    }
    // POTENTIAL BUGS : +1 added to start from 1;
    int id = this->size()+1;

    QMPair *pair = new QMPair(id, seg1, seg2);

    this->AddPair(pair);

    return pair;

  }

}}