Rules.h
Go to the documentation of this file.
//
//
// Copyright (C) 2020 Schrödinger, LLC
//
// @@ All Rights Reserved @@
// This file is part of the RDKit.
// The contents are covered by the terms of the BSD license
// which is included in the file license.txt, found at the root
// of the RDKit source tree.
//
#pragma once
#include <initializer_list>
#include <vector>
#include "Rule5.h"
#include "SequenceRule.h"
namespace RDKit {
namespace CIPLabeler {
class Rules : public SequenceRule {
public:
Rules() = delete;
Rules(std::initializer_list<SequenceRule *> rules) {
for (auto &rule : rules) {
add(rule);
}
}
~Rules() override {
for (auto &rule : d_rules) {
delete rule;
}
}
void add(SequenceRule *rule) {
if (rule == nullptr) {
throw std::runtime_error("No sequence rule provided");
}
d_rules.push_back(rule);
rule->setSorter(new Sort(d_rules));
}
int getNumSubRules() const { return d_rules.size(); }
const Sort *getSorter() const override {
if (dp_sorter == nullptr) {
const_cast<Rules *>(this)->setSorter(new Sort(this));
}
return dp_sorter.get();
}
int compare(const Edge *o1, const Edge *o2) const override {
// Try using each rules. The rules will expand the search exhaustively
// to all child substituents
for (const auto &rule : d_rules) {
// compare expands exhaustively across the whole graph
int value = rule->recursiveCompare(o1, o2);
if (value != 0) {
return value;
}
}
return 0;
}
int getComparision(const Edge *a, const Edge *b, bool deep) const override {
(void)deep;
// Try using each rules. The rules will expand the search exhaustively
// to all child substituents
for (const auto &rule : d_rules) {
// compare expands exhaustively across the whole graph
int value = rule->recursiveCompare(a, b);
if (value != 0) {
return value;
}
}
return 0;
}
private:
std::vector<const SequenceRule *> d_rules;
};
} // namespace CIPLabeler
} // namespace RDKit
Rule5.h
SequenceRule.h
RDKit::CIPLabeler::Edge
Definition: Edge.h:23
RDKit::CIPLabeler::Rules
Definition: Rules.h:22
RDKit::CIPLabeler::Rules::~Rules
~Rules() override
Definition: Rules.h:32
RDKit::CIPLabeler::Rules::Rules
Rules(std::initializer_list< SequenceRule * > rules)
Definition: Rules.h:26
RDKit::CIPLabeler::Rules::Rules
Rules()=delete
RDKit::CIPLabeler::Rules::getComparision
int getComparision(const Edge *a, const Edge *b, bool deep) const override
Definition: Rules.h:68
RDKit::CIPLabeler::Rules::getSorter
const Sort * getSorter() const override
Definition: Rules.h:48
RDKit::CIPLabeler::Rules::add
void add(SequenceRule *rule)
Definition: Rules.h:38
RDKit::CIPLabeler::Rules::getNumSubRules
int getNumSubRules() const
Definition: Rules.h:46
RDKit::CIPLabeler::Rules::compare
int compare(const Edge *o1, const Edge *o2) const override
Definition: Rules.h:55
RDKit::CIPLabeler::SequenceRule
Definition: SequenceRule.h:35
RDKit::CIPLabeler::SequenceRule::dp_sorter
std::unique_ptr< const Sort > dp_sorter
Definition: SequenceRule.h:60
RDKit::CIPLabeler::SequenceRule::setSorter
void setSorter(const Sort *sorter)
RDKit::CIPLabeler::Sort
Definition: Sort.h:28
RDKit
Std stuff.
Definition: Abbreviations.h:18