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Merge pull request #44 from ricrogz/refactor_maeblock
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Refactoring of MaeBlock hpp & cpp
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@d-b-w
d-b-w authored Jul 11, 2019
2 parents 3ed9051 + 7545afc commit fc02616
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Showing 3 changed files with 122 additions and 115 deletions.
183 changes: 95 additions & 88 deletions MaeBlock.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -10,101 +10,141 @@ namespace schrodinger
namespace mae
{

static const double tolerance = 0.00001; // Tolerance to match string cutoff
namespace
{
const double tolerance = 0.00001; // Tolerance to match string cutoff

// Wrap to-string to allow it to take strings and be a no-op
template <typename T> static string local_to_string(T val)
template <typename T> inline string local_to_string(T val)
{
return to_string(val);
}

static string local_to_string(string val)
inline bool char_requires_escaping(char c)
{
if (val.length() == 0)
return c == '"' || c == '\\';
}

string local_to_string(const string& val)
{
if (val.empty()) {
return R"("")";
// Create new string big enough to escape every character and add quotes
size_t pos_in_old = 0;
bool escaped_char = false;
for (; pos_in_old < val.length(); ++pos_in_old) {
const char& c = val[pos_in_old];
if (c == '"' || c == '\\' || c == ' ') {
escaped_char = true;
}

// Quotes are required if any character needs escaping, or there are
// spaces in the string (spaces do not require escaping)
bool quotes_required = false;
for (const char& c : val) {
if (char_requires_escaping(c) || c == ' ') {
quotes_required = true;
break;
}
}
if (!escaped_char)

if (!quotes_required) {
return val;
}

size_t pos_in_new = 1;
string new_string(val.length() * 2 + 2, '\"');
for (pos_in_old = 0; pos_in_old < val.length(); ++pos_in_old) {
const char& c = val[pos_in_old];
if (c == '"' || c == '\\') {
new_string[pos_in_new++] = '\\';
std::stringstream new_string;
new_string << '\"';
for (const char& c : val) {
if (char_requires_escaping(c)) {
new_string << '\\';
}
new_string[pos_in_new++] = val[pos_in_old];
new_string << c;
}
new_string.resize(pos_in_new + 1);
return new_string;
new_string << '\"';

return new_string.str();
}

template <typename T>
static void output_property_names(ostream& out, const string& indentation,
map<string, T> properties)
inline void output_property_names(ostream& out, const string& indentation,
const map<string, T>& properties)
{
for (const auto& p : properties) {
out << indentation << p.first << "\n";
}
}

template <typename T>
static void output_property_values(ostream& out, const string& indentation,
map<string, T> properties)
inline void output_property_values(ostream& out, const string& indentation,
const map<string, T>& properties)
{
for (const auto& p : properties) {
out << indentation << local_to_string(p.second) << "\n";
}
}

Block::~Block()
template <typename T>
void output_indexed_property_values(ostream& out,
const map<string, T>& properties,
unsigned int index)
{
// TODO: check with valgrind whether some destructor is needed
for (const auto& p : properties) {
const auto& property = p.second;
if (property->isDefined(index)) {
out << ' ' << local_to_string(property->at(index));
} else {
out << " <>";
}
}
}

template <typename T>
bool maps_indexed_props_equal(const T& lmap, const T& rmap)
{
if (rmap.size() != lmap.size())
return false;
auto diff = std::mismatch(
lmap.begin(), lmap.end(), rmap.begin(),
[](decltype(*begin(lmap)) l, decltype(*begin(lmap)) r) {
return l.first == r.first && *(l.second) == *(r.second);
});
if (diff.first != lmap.end())
return false;
return true;
}
}

void Block::write(ostream& out, unsigned int current_indentation) const
{

string root_indentation = string(current_indentation, ' ');
string indentation = string(current_indentation + 2, ' ');
current_indentation += 2;
string indentation = string(current_indentation, ' ');

const bool has_data = !m_bmap.empty() || !m_rmap.empty() ||
!m_imap.empty() || !m_smap.empty();

out << root_indentation << getName() << " {\n";

output_property_names(out, indentation, m_bmap);
output_property_names(out, indentation, m_rmap);
output_property_names(out, indentation, m_imap);
output_property_names(out, indentation, m_smap);
if (has_data) {
output_property_names(out, indentation, m_bmap);
output_property_names(out, indentation, m_rmap);
output_property_names(out, indentation, m_imap);
output_property_names(out, indentation, m_smap);

if (m_bmap.size() + m_rmap.size() + m_imap.size() + m_smap.size() > 0) {
out << indentation + ":::\n";
}

output_property_values(out, indentation, m_bmap);
output_property_values(out, indentation, m_rmap);
output_property_values(out, indentation, m_imap);
output_property_values(out, indentation, m_smap);
output_property_values(out, indentation, m_bmap);
output_property_values(out, indentation, m_rmap);
output_property_values(out, indentation, m_imap);
output_property_values(out, indentation, m_smap);
}

if (hasIndexedBlockData()) {
const auto block_names = m_indexed_block_map->getBlockNames();
for (const auto& name : block_names) {
const auto& indexed_block =
m_indexed_block_map->getIndexedBlock(name);
indexed_block->write(out, current_indentation + 2);
indexed_block->write(out, current_indentation);
}
}

for (const auto& p : m_sub_block) {
const auto& sub_block = p.second;
sub_block->write(out, current_indentation + 2);
sub_block->write(out, current_indentation);
}

out << root_indentation << "}\n\n";
Expand Down Expand Up @@ -295,54 +335,36 @@ size_t IndexedBlock::size() const
return count;
}

template <typename T>
static void output_indexed_property_values(ostream& out,
map<string, T> properties,
unsigned int index)
{
for (const auto& p : properties) {
const auto& property = p.second;
if (property->isDefined(index)) {
out << ' ' << local_to_string(property->at(index));
} else {
out << " <>";
}
}
}

void IndexedBlock::write(ostream& out, unsigned int current_indentation) const
{
string root_indentation = string(current_indentation, ' ');
string indentation = string(current_indentation + 2, ' ');
const bool has_data =
m_bmap.size() + m_rmap.size() + m_imap.size() + m_smap.size() > 0;

const bool has_data = !m_bmap.empty() || !m_rmap.empty() ||
!m_imap.empty() || !m_smap.empty();

out << root_indentation << getName() << "[" << to_string((int) size())
<< "] {\n";

if (has_data) {
out << indentation + "# First column is Index #\n";
}

output_property_names(out, indentation, m_bmap);
output_property_names(out, indentation, m_rmap);
output_property_names(out, indentation, m_imap);
output_property_names(out, indentation, m_smap);
output_property_names(out, indentation, m_bmap);
output_property_names(out, indentation, m_rmap);
output_property_names(out, indentation, m_imap);
output_property_names(out, indentation, m_smap);

if (has_data) {
out << indentation + ":::\n";
}

for (unsigned int i = 0; i < size(); ++i) {
out << indentation << i + 1;
output_indexed_property_values(out, m_bmap, i);
output_indexed_property_values(out, m_rmap, i);
output_indexed_property_values(out, m_imap, i);
output_indexed_property_values(out, m_smap, i);
out << endl;
}
for (unsigned int i = 0; i < size(); ++i) {
out << indentation << i + 1;
output_indexed_property_values(out, m_bmap, i);
output_indexed_property_values(out, m_rmap, i);
output_indexed_property_values(out, m_imap, i);
output_indexed_property_values(out, m_smap, i);
out << endl;
}

if (has_data) {
out << indentation + ":::\n";
}

Expand Down Expand Up @@ -392,21 +414,6 @@ operator==(const IndexedProperty<double>& rhs) const
return true;
}

template <typename T>
static bool maps_indexed_props_equal(const T& lmap, const T& rmap)
{
if (rmap.size() != lmap.size())
return false;
auto diff = std::mismatch(
lmap.begin(), lmap.end(), rmap.begin(),
[](decltype(*begin(lmap)) l, decltype(*begin(lmap)) r) {
return l.first == r.first && *(l.second) == *(r.second);
});
if (diff.first != lmap.end())
return false;
return true;
}

bool IndexedBlock::operator==(const IndexedBlock& rhs) const
{
if (!maps_indexed_props_equal(m_bmap, rhs.m_bmap))
Expand Down
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