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#pragma once
#include <boost/dynamic_bitset.hpp>
#include <cassert>
#include <cstring>
#include <map>
#include <stdexcept>
#include <string>
#include <utility>
#include "MaeParserConfig.hpp"
namespace schrodinger
{
namespace mae
{
using BoolProperty = uint8_t;
template <typename T>
inline const T& get_property(const std::map<std::string, T>& map,
const std::string& name)
{
auto iter = map.find(name);
if (iter == map.end()) {
throw std::out_of_range("Key not found: " + name);
} else {
return iter->second;
}
}
// Forward declaration.
class IndexedBlockBuffer;
class IndexedBlock;
class EXPORT_MAEPARSER IndexedBlockMapI
{
public:
virtual ~IndexedBlockMapI() = default;
virtual bool hasIndexedBlock(const std::string& name) const = 0;
virtual std::shared_ptr<const IndexedBlock>
getIndexedBlock(const std::string& name) const = 0;
virtual std::vector<std::string> getBlockNames() const = 0;
bool operator==(const IndexedBlockMapI& rhs) const;
};
class EXPORT_MAEPARSER IndexedBlockMap : public IndexedBlockMapI
{
std::map<std::string, std::shared_ptr<IndexedBlock>> m_indexed_block;
public:
bool hasIndexedBlock(const std::string& name) const override;
std::shared_ptr<const IndexedBlock>
getIndexedBlock(const std::string& name) const override;
std::vector<std::string> getBlockNames() const override
{
std::vector<std::string> rval;
for (const auto& p : m_indexed_block) {
rval.push_back(p.first);
}
return rval;
}
/**
* Add an IndexedBlock to the map.
*/
void addIndexedBlock(const std::string& name,
std::shared_ptr<IndexedBlock> indexed_block)
{
m_indexed_block[name] = std::move(indexed_block);
}
};
class EXPORT_MAEPARSER BufferedIndexedBlockMap : public IndexedBlockMapI
{
private:
std::map<std::string, std::shared_ptr<IndexedBlock>> m_indexed_block;
std::map<std::string, std::shared_ptr<IndexedBlockBuffer>> m_indexed_buffer;
public:
bool hasIndexedBlock(const std::string& name) const override;
std::shared_ptr<const IndexedBlock>
getIndexedBlock(const std::string& name) const override;
std::vector<std::string> getBlockNames() const override
{
std::vector<std::string> rval;
for (const auto& p : m_indexed_buffer) {
rval.push_back(p.first);
}
return rval;
}
/**
* Add an IndexedBlockBuffer to the map, which can be used to retrieve an
* IndexedBlock.
*/
void addIndexedBlockBuffer(const std::string& name,
std::shared_ptr<IndexedBlockBuffer> block_buffer)
{
m_indexed_buffer[name] = std::move(block_buffer);
}
};
class EXPORT_MAEPARSER Block
{
private:
const std::string m_name;
std::map<std::string, BoolProperty> m_bmap;
std::map<std::string, double> m_rmap;
std::map<std::string, int> m_imap;
std::map<std::string, std::string> m_smap;
std::map<std::string, std::shared_ptr<Block>> m_sub_block;
std::shared_ptr<IndexedBlockMapI> m_indexed_block_map;
public:
// Prevent copying.
Block(const Block&) = delete;
Block& operator=(const Block&) = delete;
Block(std::string name)
: m_name(std::move(name)), m_bmap(), m_rmap(), m_imap(), m_smap(),
m_indexed_block_map(nullptr)
{
}
const std::string& getName() const { return m_name; }
std::string toString() const;
void write(std::ostream& out, unsigned int current_indentation = 0) const;
void setIndexedBlockMap(std::shared_ptr<IndexedBlockMapI> indexed_block_map)
{
m_indexed_block_map = std::move(indexed_block_map);
}
bool hasIndexedBlockData() const { return m_indexed_block_map != nullptr; }
bool hasIndexedBlock(const std::string& name)
{
return hasIndexedBlockData() &&
m_indexed_block_map->hasIndexedBlock(name);
}
std::shared_ptr<const IndexedBlock>
getIndexedBlock(const std::string& name) const;
void addBlock(std::shared_ptr<Block> b)
{
m_sub_block[b->getName()] = std::move(b);
}
/**
* Check whether this block has a sub-block of the provided name.
*/
bool hasBlock(const std::string& name)
{
std::map<std::string, std::shared_ptr<Block>>::const_iterator iter =
m_sub_block.find(name);
return (iter != m_sub_block.end());
}
/**
* Retrieve a shared pointer to the named sub-block.
*/
std::shared_ptr<Block> getBlock(const std::string& name) const
{
std::map<std::string, std::shared_ptr<Block>>::const_iterator iter =
m_sub_block.find(name);
if (iter == m_sub_block.end()) {
throw std::out_of_range("Sub-block not found: " + name);
} else {
return iter->second;
}
}
/**
* Get the names of all non-indexed sub-blocks
*/
std::vector<std::string> getBlockNames() const
{
std::vector<std::string> names;
for (auto& n : m_sub_block) {
names.push_back(n.first);
}
return names;
}
/**
* Get the names of all indexed sub-blocks
*/
std::vector<std::string> getIndexedBlockNames() const
{
return m_indexed_block_map->getBlockNames();
}
bool operator==(const Block& rhs) const;
bool hasRealProperty(const std::string& name) const
{
return (m_rmap.find(name) != m_rmap.end());
}
double getRealProperty(const std::string& name) const
{
return get_property<double>(m_rmap, name);
}
void setRealProperty(const std::string& name, double value)
{
m_rmap[name] = value;
}
bool hasIntProperty(const std::string& name) const
{
return (m_imap.find(name) != m_imap.end());
}
int getIntProperty(const std::string& name) const
{
return get_property<int>(m_imap, name);
}
void setIntProperty(const std::string& name, int value)
{
m_imap[name] = value;
}
bool hasBoolProperty(const std::string& name) const
{
return (m_bmap.find(name) != m_bmap.end());
}
bool getBoolProperty(const std::string& name) const
{
return 1u == get_property<BoolProperty>(m_bmap, name);
}
void setBoolProperty(const std::string& name, bool value)
{
m_bmap[name] = static_cast<BoolProperty>(value);
}
bool hasStringProperty(const std::string& name) const
{
return (m_smap.find(name) != m_smap.end());
}
const std::string& getStringProperty(const std::string& name) const
{
return get_property<std::string>(m_smap, name);
}
void setStringProperty(const std::string& name, std::string value)
{
m_smap[name] = std::move(value);
}
template <typename T> const std::map<std::string, T>& getProperties() const;
};
template <typename T> class IndexedProperty
{
private:
std::vector<T> m_data;
boost::dynamic_bitset<>* m_is_null;
public:
// Prevent copying.
IndexedProperty(const IndexedProperty<T>&) = delete;
IndexedProperty& operator=(const IndexedProperty<T>&) = delete;
using size_type = typename std::vector<T>::size_type;
/**
* Construct an IndexedProperty from a reference to a vector of data.
* This swaps out the data of the input vector.
*
* The optional boost::dynamic_bitset is owned by the created object.
*/
explicit IndexedProperty(std::vector<T>& data,
boost::dynamic_bitset<>* is_null = nullptr)
: m_data(), m_is_null(is_null)
{
m_data.swap(data);
}
~IndexedProperty()
{
if (m_is_null != nullptr) {
delete m_is_null;
}
}
bool operator==(const IndexedProperty<T>& rhs) const;
size_type size() const { return m_data.size(); }
bool hasUndefinedValues() const
{
return (m_is_null != NULL && m_is_null->any());
}
bool isDefined(size_type index) const
{
if (m_is_null == nullptr) {
// Use of assert matches out-of-bounds behavior for dynamic_bitset.
assert(index < m_data.size());
return true;
} else {
return !m_is_null->test(index);
}
}
void undefine(size_type index)
{
if (m_is_null == NULL) {
m_is_null = new boost::dynamic_bitset<>(m_data.size());
}
m_is_null->set(index);
}
inline T& operator[](size_type index)
{
if (m_is_null && m_is_null->test(index)) {
throw std::runtime_error("Indexed property value undefined.");
}
return m_data[index];
}
inline const T& operator[](size_type index) const
{
if (m_is_null && m_is_null->test(index)) {
throw std::runtime_error("Indexed property value undefined.");
}
return m_data[index];
}
inline T& at(size_type index) { return operator[](index); }
inline const T& at(size_type index) const { return operator[](index); }
inline const T& at(size_type index, const T& default_) const
{
if (m_is_null && m_is_null->test(index)) {
return default_;
}
return m_data[index];
}
void set(size_type index, const T& value)
{
m_data[index] = value;
if (m_is_null != NULL && m_is_null->test(index)) {
m_is_null->reset(index);
}
}
const std::vector<T>& data() const { return m_data; }
const boost::dynamic_bitset<>* nullIndices() const { return m_is_null; }
};
using IndexedRealProperty = IndexedProperty<double>;
using IndexedIntProperty = IndexedProperty<int>;
using IndexedBoolProperty = IndexedProperty<BoolProperty>;
using IndexedStringProperty = IndexedProperty<std::string>;
template <typename T>
inline std::shared_ptr<T>
get_indexed_property(const std::map<std::string, std::shared_ptr<T>>& map,
const std::string& name)
{
auto iter = map.find(name);
if (iter == map.end()) {
return std::shared_ptr<T>(nullptr);
} else {
return iter->second;
}
}
template <typename T>
inline void set_indexed_property(std::map<std::string, std::shared_ptr<T>>& map,
const std::string& name,
std::shared_ptr<T> value)
{
map[name] = std::move(value);
}
class EXPORT_MAEPARSER IndexedBlock
{
private:
const std::string m_name;
std::map<std::string, std::shared_ptr<IndexedBoolProperty>> m_bmap;
std::map<std::string, std::shared_ptr<IndexedIntProperty>> m_imap;
std::map<std::string, std::shared_ptr<IndexedRealProperty>> m_rmap;
std::map<std::string, std::shared_ptr<IndexedStringProperty>> m_smap;
public:
// Prevent copying.
IndexedBlock(const IndexedBlock&) = delete;
IndexedBlock& operator=(const IndexedBlock&) = delete;
/**
* Create an indexed block.
*/
IndexedBlock(std::string name)
: m_name(std::move(name)), m_bmap(), m_imap(), m_rmap(), m_smap()
{
}
size_t size() const;
const std::string& getName() const { return m_name; }
std::string toString() const;
void write(std::ostream& out, unsigned int current_indentation = 0) const;
bool operator==(const IndexedBlock& rhs) const;
bool operator!=(const IndexedBlock& rhs) const
{
return !(operator==(rhs));
}
template <typename T>
void setProperty(const std::string& name,
std::shared_ptr<IndexedProperty<T>> value);
bool hasBoolProperty(const std::string& name) const
{
return (m_bmap.find(name) != m_bmap.end());
}
std::shared_ptr<IndexedBoolProperty>
getBoolProperty(const std::string& name) const
{
return get_indexed_property<IndexedBoolProperty>(m_bmap, name);
}
void setBoolProperty(const std::string& name,
std::shared_ptr<IndexedBoolProperty> value)
{
set_indexed_property<IndexedBoolProperty>(m_bmap, name,
std::move(value));
}
bool hasIntProperty(const std::string& name) const
{
return (m_imap.find(name) != m_imap.end());
}
std::shared_ptr<IndexedIntProperty>
getIntProperty(const std::string& name) const
{
return get_indexed_property<IndexedIntProperty>(m_imap, name);
}
void setIntProperty(const std::string& name,
std::shared_ptr<IndexedIntProperty> value)
{
set_indexed_property<IndexedIntProperty>(m_imap, name,
std::move(value));
}
bool hasRealProperty(const std::string& name) const
{
return (m_rmap.find(name) != m_rmap.end());
}
std::shared_ptr<IndexedRealProperty>
getRealProperty(const std::string& name) const
{
return get_indexed_property<IndexedRealProperty>(m_rmap, name);
}
void setRealProperty(const std::string& name,
std::shared_ptr<IndexedRealProperty> value)
{
set_indexed_property<IndexedRealProperty>(m_rmap, name,
std::move(value));
}
bool hasStringProperty(const std::string& name) const
{
return (m_smap.find(name) != m_smap.end());
}
std::shared_ptr<IndexedStringProperty>
getStringProperty(const std::string& name) const
{
return get_indexed_property<IndexedStringProperty>(m_smap, name);
}
void setStringProperty(const std::string& name,
std::shared_ptr<IndexedStringProperty> value)
{
set_indexed_property<IndexedStringProperty>(m_smap, name,
std::move(value));
}
template <typename T>
const std::map<std::string, std::shared_ptr<IndexedProperty<T>>>&
getProperties() const;
};
// Template specializations
template <>
inline const std::map<std::string, BoolProperty>&
Block::getProperties<BoolProperty>() const
{
return m_bmap;
}
template <>
inline const std::map<std::string, int>& Block::getProperties<int>() const
{
return m_imap;
}
template <>
inline const std::map<std::string, double>& Block::getProperties<double>() const
{
return m_rmap;
}
template <>
inline const std::map<std::string, std::string>&
Block::getProperties<std::string>() const
{
return m_smap;
}
template <>
inline const std::map<std::string,
std::shared_ptr<IndexedProperty<BoolProperty>>>&
IndexedBlock::getProperties() const
{
return m_bmap;
}
template <>
inline const std::map<std::string, std::shared_ptr<IndexedProperty<int>>>&
IndexedBlock::getProperties() const
{
return m_imap;
}
template <>
inline const std::map<std::string, std::shared_ptr<IndexedProperty<double>>>&
IndexedBlock::getProperties() const
{
return m_rmap;
}
template <>
inline const std::map<std::string,
std::shared_ptr<IndexedProperty<std::string>>>&
IndexedBlock::getProperties() const
{
return m_smap;
}
} // namespace mae
} // namespace schrodinger
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