<commit_before>/*
 * 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
 *
 *     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.
 *
 */

#ifndef _VOTCA_CSG_BEADSTRUCTURE_H
#define _VOTCA_CSG_BEADSTRUCTURE_H

#include <cassert>
#include <unordered_map>
#include <votca/tools/graph.h>
#include <votca/tools/graph_bf_visitor.h>
#include <votca/tools/graphalgorithm.h>
#include <votca/tools/graphdistvisitor.h>

namespace TOOLS = votca::tools;

namespace TOOLS = votca::tools;

namespace votca {
namespace csg {

/**
 * \brief Designed to determine if the structure beads passed in
 *
 * Essentially it will have the functionality to determine if the stored beads
 * make up a single molecule. It can also break the stored beads up into
 * molecules. It can compare two bead structures and determine if they are the
 * same structure. The Ids of a bead will not determine if a structure is
 * equivalent or not. Each bead must have a unique Id.
 *
 * E.g. If a beadstructure is composed of the following:
 *<commit_msg>Removed double namespace tools call<commit_after>/*
 * 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
 *
 *     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.
 *
 */

#ifndef _VOTCA_CSG_BEADSTRUCTURE_H
#define _VOTCA_CSG_BEADSTRUCTURE_H

#include <cassert>
#include <unordered_map>
#include <votca/tools/graph.h>
#include <votca/tools/graph_bf_visitor.h>
#include <votca/tools/graphalgorithm.h>
#include <votca/tools/graphdistvisitor.h>

namespace TOOLS = votca::tools;

namespace votca {
namespace csg {

/**
 * \brief Designed to determine if the structure beads passed in
 *
 * Essentially it will have the functionality to determine if the stored beads
 * make up a single molecule. It can also break the stored beads up into
 * molecules. It can compare two bead structures and determine if they are the
 * same structure. The Ids of a bead will not determine if a structure is
 * equivalent or not. Each bead must have a unique Id.
 *
 * E.g. If a beadstructure is composed of the following:
 *
{'fraction_non_alphanumeric': 0.07533573534228627, 'fraction_numerical': 0.007861120209629872, 'mean_word_length': 4.141414141414141, 'pattern_counts': {'":': 0, '<': 15, '<?xml version=': 0, '>': 15, 'https://': 0, 'lorem ipsum': 0, 'www.': 4, 'xml': 0}, 'pii_count': 0, 'substrings_counts': 0, 'word_list_counts': {'cursed_substrings.json': 2, 'profanity_word_list.json': 0, 'sexual_word_list.json': 0, 'zh_pornsignals.json': 0}}
{'dir': 'git-commits-cleaned', 'id': '5504751', 'n_tokens_mistral': 902, 'n_tokens_neox': 869, 'n_words': 387}