Lines Matching refs:Atom
31 struct Atom struct
33 Atom(float _x, float _y, float _z, int _number) in Atom() function
47 BOOST_COMPUTE_ADAPT_STRUCT(chemistry::Atom, Atom, (x, y, z, number))
61 BOOST_CHECK(std::strcmp(compute::type_name<chemistry::Atom>(), "Atom") == 0); in BOOST_AUTO_TEST_CASE()
66 std::vector<chemistry::Atom> atoms; in BOOST_AUTO_TEST_CASE()
67 atoms.push_back(chemistry::Atom(1.f, 0.f, 0.f, 1)); in BOOST_AUTO_TEST_CASE()
68 atoms.push_back(chemistry::Atom(0.f, 1.f, 0.f, 1)); in BOOST_AUTO_TEST_CASE()
69 atoms.push_back(chemistry::Atom(0.f, 0.f, 0.f, 8)); in BOOST_AUTO_TEST_CASE()
71 compute::vector<chemistry::Atom> vec(atoms.size(), context); in BOOST_AUTO_TEST_CASE()
75 BOOST_COMPUTE_FUNCTION(bool, is_oxygen, (chemistry::Atom atom), in BOOST_AUTO_TEST_CASE()
80 compute::vector<chemistry::Atom>::iterator iter = in BOOST_AUTO_TEST_CASE()
97 std::vector<chemistry::Atom> data; in BOOST_AUTO_TEST_CASE()
98 data.push_back(chemistry::Atom(1.f, 0.f, 0.f, 1)); in BOOST_AUTO_TEST_CASE()
99 data.push_back(chemistry::Atom(0.f, 1.f, 0.f, 1)); in BOOST_AUTO_TEST_CASE()
100 data.push_back(chemistry::Atom(0.f, 0.f, 0.f, 8)); in BOOST_AUTO_TEST_CASE()
102 compute::vector<chemistry::Atom> atoms(data.size(), context); in BOOST_AUTO_TEST_CASE()
106 __kernel void custom_kernel(__global const Atom *atoms, in BOOST_AUTO_TEST_CASE()
110 const __global Atom *atom = &atoms[i]; in BOOST_AUTO_TEST_CASE()
120 source = compute::type_definition<chemistry::Atom>() + "\n" + source; in BOOST_AUTO_TEST_CASE()