AtomicRadialsTest Class Reference

Inheritance diagram for AtomicRadialsTest:

Collaboration diagram for AtomicRadialsTest:

Protected Member Functions
void	SetUp ()
void	TearDown ()

Protected Attributes
AtomicRadials	Ti_radials
	object under test
std::string	file = "../../../../../tests/PP_ORB/Ti_gga_10au_100Ry_4s2p2d1f.orb"
	orbital file to read from
std::string	log_file = "./test_files/atomic_radials.log"
	file for logging
double	tol = 1e-12
	numerical tolerance for grid & values

Detailed Description

Tested functions:

• build
  • parse an orbital file and initialize the NumericalRadial objects
• copy constructor, assignment operator & polymorphic clone
  • enabling deep copy
• cbegin & cend
  • pointers to the first and one-past-last read-only NumericalRadial objects
• all "getters"
  • Get access to private members.
• all "batch setters"
  • Set a property for all NumericalRadial objects at once
• to_numerical_orbital
  • Overwrites the content of a Numerical_Orbital object with the current object.

Member Function Documentation

SetUp()

void AtomicRadialsTest::SetUp ( )

protected

TearDown()

void AtomicRadialsTest::TearDown ( )

inlineprotected

Member Data Documentation

file

std::string AtomicRadialsTest::file = "../../../../../tests/PP_ORB/Ti_gga_10au_100Ry_4s2p2d1f.orb"

protected

orbital file to read from

log_file

std::string AtomicRadialsTest::log_file = "./test_files/atomic_radials.log"

protected

file for logging

Ti_radials

AtomicRadials AtomicRadialsTest::Ti_radials

protected

object under test

tol

double AtomicRadialsTest::tol = 1e-12

protected

numerical tolerance for grid & values

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

• /home/runner/work/abacus-develop/abacus-develop/source/source_basis/module_nao/test/atomic_radials_test.cpp