Xmipp  v3.23.11-Nereus
Public Member Functions | Public Attributes | List of all members
cif::tls_selection_by_element Struct Reference
Inheritance diagram for cif::tls_selection_by_element:
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Public Member Functions

 tls_selection_by_element (const std::string &element)
 
void collect_residues (cif::datablock &db, std::vector< tls_residue > &residues, size_t indentLevel) const override
 
- Public Member Functions inherited from cif::tls_selection_all
 tls_selection_all ()
 
void collect_residues (cif::datablock &db, std::vector< tls_residue > &residues, size_t indentLevel) const override
 

Public Attributes

std::string m_element
 

Detailed Description

Definition at line 580 of file tls.cpp.

Constructor & Destructor Documentation

◆ tls_selection_by_element()

cif::tls_selection_by_element::tls_selection_by_element ( const std::string &  element)
inline

Definition at line 583 of file tls.cpp.

584  : m_element(element)
585  {
586  }

Member Function Documentation

◆ collect_residues()

void cif::tls_selection_by_element::collect_residues ( cif::datablock &  db,
std::vector< tls_residue > &  residues,
size_t  indentLevel 
) const
inlineoverride

Definition at line 588 of file tls.cpp.

589  {
590  // rationale... We want to select residues only. So we select
591  // residues that have just a single atom of type m_element.
592  // And we assume these have as residue name... m_element.
593  // ... Right?
594 
595  for (auto &r : residues)
596  r.selected = iequals(r.name, m_element);
597 
598  if (cif::VERBOSE > 0)
599  {
600  std::cout << std::string(indentLevel * 2, ' ') << "Element " << m_element << std::endl;
601  dump_selection(residues, indentLevel);
602  }
603  }
bool iequals(std::string_view a, std::string_view b)
Definition: text.cpp:59
void dump_selection(const std::vector< tls_residue > &selected, size_t indentLevel)
Definition: tls.cpp:69
int VERBOSE
Definition: utilities.cpp:58

Member Data Documentation

◆ m_element

std::string cif::tls_selection_by_element::m_element

Definition at line 605 of file tls.cpp.


The documentation for this struct was generated from the following file: