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Simplify pairing logic for periodic surfaces

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This commit is contained in:
Sterling Harper 2020-10-26 22:31:27 -06:00
parent 5fb806bcb5
commit 803ae8d02d
1 changed files with 28 additions and 28 deletions
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56
src/surface.cpp
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@ -3,6 +3,7 @@
#include <array>
#include <cmath>
#include <utility>
#include <set>
#include <fmt/core.h>
#include <gsl/gsl>
@ -1025,7 +1026,7 @@ void read_surfaces(pugi::xml_node node)
// Loop over XML surface elements and populate the array. Keep track of
// periodic surfaces.
model::surfaces.reserve(n_surfaces);
std::vector<std::pair<int, int>> periodic_pairs;
std::set<std::pair<int, int>> periodic_pairs;
{
pugi::xml_node surf_node;
int i_surf;
@ -1082,9 +1083,11 @@ void read_surfaces(pugi::xml_node node)
if (check_for_node(surf_node, "periodic_surface_id")) {
int i_periodic = std::stoi(get_node_value(surf_node,
"periodic_surface_id"));
periodic_pairs.push_back({model::surfaces.back()->id_, i_periodic});
int lo_id = std::min(model::surfaces.back()->id_, i_periodic);
int hi_id = std::max(model::surfaces.back()->id_, i_periodic);
periodic_pairs.insert({lo_id, hi_id});
} else {
periodic_pairs.push_back({model::surfaces.back()->id_, -1});
periodic_pairs.insert({model::surfaces.back()->id_, -1});
}
}
}
@ -1103,41 +1106,38 @@ void read_surfaces(pugi::xml_node node)
}
}
// Remove duplicate permutations from the pairs of periodic surfaces (using a
// functor to compare the pairs)
struct compare_pairs {
bool operator()(const std::pair<int, int> p1, const std::pair<int, int> p2)
const {
return p1.first == p2.second;
}
};
compare_pairs compare_f;
auto last = std::unique(periodic_pairs.begin(), periodic_pairs.end(),
compare_f);
periodic_pairs.erase(last, periodic_pairs.end());
// Resolve unpaired periodic surfaces
struct is_unresolved_pair {
bool operator()(const std::pair<int, int> p) const
{return p.second == -1;}
};
is_unresolved_pair unresolved_f;
// Resolve unpaired periodic surfaces. A lambda function is used with
// std::find_if to identify the unpaired surfaces.
auto is_unresolved_pair =
[](const std::pair<int, int> p){return p.second == -1;};
auto first_unresolved = std::find_if(periodic_pairs.begin(),
periodic_pairs.end(), unresolved_f);
periodic_pairs.end(), is_unresolved_pair);
if (first_unresolved != periodic_pairs.end()) {
auto second_unresolved = std::find_if(first_unresolved+1,
periodic_pairs.end(), unresolved_f);
// Found one unpaired surface; search for a second one
auto next_elem = first_unresolved;
next_elem++;
auto second_unresolved = std::find_if(next_elem, periodic_pairs.end(),
is_unresolved_pair);
if (second_unresolved == periodic_pairs.end()) {
fatal_error("Found only one periodic surface without a specified partner."
" Please specify the partner for each periodic surface.");
}
auto third_unresolved = std::find_if(second_unresolved+1,
periodic_pairs.end(), unresolved_f);
// Make sure there isn't a third unpaired surface
next_elem = second_unresolved;
next_elem++;
auto third_unresolved = std::find_if(next_elem,
periodic_pairs.end(), is_unresolved_pair);
if (third_unresolved != periodic_pairs.end()) {
fatal_error("Found at least three periodic surfaces without a specified "
"partner. Please specify the partner for each periodic surface.");
}
first_unresolved->second = second_unresolved->first;
// Add the completed pair and remove the old, unpaired entries
int lo_id = std::min(first_unresolved->first, second_unresolved->first);
int hi_id = std::max(first_unresolved->first, second_unresolved->first);
periodic_pairs.insert({lo_id, hi_id});
periodic_pairs.erase(first_unresolved);
periodic_pairs.erase(second_unresolved);
}