Commit e7c34cc1 by Maarten L. Hekkelman

Merge changes

parent 6fe5a04c
......@@ -50,7 +50,7 @@ class atom
private:
struct atom_impl : public std::enable_shared_from_this<atom_impl>
{
atom_impl(datablock &db, std::string_view id)
atom_impl(const datablock &db, std::string_view id)
: m_db(db)
, m_cat(db["atom_site"])
, m_id(id)
......@@ -111,7 +111,7 @@ class atom
}
const datablock &m_db;
category &m_cat;
const category &m_cat;
std::string m_id;
point m_location;
std::string m_symop = "1_555";
......@@ -130,7 +130,7 @@ class atom
{
}
atom(datablock &db, row_handle &row)
atom(const datablock &db, const row_handle &row)
: atom(std::make_shared<atom_impl>(db, row["id"].as<std::string>()))
{
}
......@@ -893,15 +893,7 @@ class structure
void validate_atoms() const;
private:
friend polymer;
friend residue;
std::string insert_compound(const std::string &compoundID, bool is_entity);
std::string create_entity_for_branch(branch &branch);
void load_data();
// TODO: make this protected?
void load_atoms_for_model(StructureOpenOptions options);
......@@ -913,6 +905,16 @@ class structure
atom &emplace_atom(atom &&atom);
private:
friend polymer;
friend residue;
std::string insert_compound(const std::string &compoundID, bool is_entity);
std::string create_entity_for_branch(branch &branch);
void load_data();
void remove_atom(atom &a, bool removeFromResidue);
void remove_sugar(sugar &sugar);
......
......@@ -2331,6 +2331,11 @@ _test.text
'data_dinges'
'blablaglobal_bla'
boo.data_.whatever
'data_.whatever'
'stop_'
'loop_'
'global_'
'_with.leading_underscore'
)"_cf;
auto &db1 = data1.front();
......@@ -2344,8 +2349,13 @@ boo.data_.whatever
{ "stop_the_crap", false },
{ "and stop_ this too", false },
{ "data_dinges", false },
{ "blablaglobal_bla", false },
{ "boo.data_.whatever", true }
{ "blablaglobal_bla", true },
{ "boo.data_.whatever", true },
{ "data_.whatever", false },
{ "stop_", false },
{ "loop_", false },
{ "global_", false },
{ "_with.leading_underscore", false }
};
BOOST_CHECK_EQUAL(test1.size(), sizeof(kS) / sizeof(T));
......
Markdown is supported
0% or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment