{set_}scale -> prescale{d}_by

evaleev · Aug 9, 2019 · 93f3cfa · 93f3cfa
1 parent 309f18a
commit 93f3cfa
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Showing 6 changed files with 10 additions and 10 deletions.
diff --git a/CHANGES b/CHANGES
@@ -6,7 +6,7 @@ Following is a brief summary of changes made in each release of Libint.
 - 2019-08-09: 2.7.0-beta.1
   - PR #142: fixed cmake build of fortran interface (HT @pseewald )
   - PR #141: can buile shared and static libs in one shot (HT @francesco-bosia )
-  - added Engine::{set_}scale that allows scaling target ints
+  - added Engine::prescale_by that allows scaling target ints
 
 - 2019-07-23: 2.6.0
   - fixed initialization order error in unit test

diff --git a/doc/wiki b/doc/wiki
diff --git a/include/libint2/engine.h b/include/libint2/engine.h
@@ -798,14 +798,14 @@ class Engine {
   }
 
   /// @return the scaling factor by which the target integrals are multiplied
-  scalar_type scale() const {
+  scalar_type prescaled_by() const {
     return scale_;
   }
 
   /// @param[in] sc the scaling factor by which the target integrals are multiplied
   /// @note the default factor is 1
   /// @return reference to @c this for daisy-chaining
-  Engine& set_scale(scalar_type sc) {
+  Engine& prescale_by(scalar_type sc) {
     scale_ = sc;
     return *this;
   }

diff --git a/tests/unit/test-1body.cc b/tests/unit/test-1body.cc
@@ -16,7 +16,7 @@ TEST_CASE_METHOD(libint2::unit::DefaultFixture, "electrostatic potential", "[eng
       engine.set_params(make_point_charges(atoms));
 
       const auto scale = 2.3;
-      engine.set_scale(scale);
+      engine.prescale_by(scale);
       engine.compute(obs[0], obs[0]);
       {
         std::vector<double> shellset_ref = {
@@ -38,7 +38,7 @@ TEST_CASE_METHOD(libint2::unit::DefaultFixture, "electrostatic potential", "[eng
         }
       }
 
-      engine.set_scale(1);
+      engine.prescale_by(1);
       engine.compute(obs[0], obs[1]);
       {
         std::vector<double> shellset_ref = {

diff --git a/tests/unit/test-2body.cc b/tests/unit/test-2body.cc
@@ -45,8 +45,8 @@ TEST_CASE("Slater/Yukawa integrals", "[engine][2-body]") {
     for (int k = -1; k <= 0; ++k) {
       auto engine = Engine(k == 0 ? Operator::stg : Operator::yukawa, max_nprim, max_l);
       const auto scale = 2.3;
-      engine.set_params(1.0).set_scale(scale);
-      REQUIRE(engine.scale() == scale);
+      engine.set_params(1.0).prescale_by(scale);
+      REQUIRE(engine.prescaled_by() == scale);
       const auto &results = engine.results();
       auto engine_ref =
           Engine(k == 0 ? Operator::cgtg : Operator::cgtg_x_coulomb, max_nprim, max_l);

diff --git a/tests/unit/test-core.cc b/tests/unit/test-core.cc
@@ -28,8 +28,8 @@ TEST_CASE("Engine::set", "[engine]") {
   REQUIRE_THROWS_AS(Engine{}.set(Operator::overlap), Engine::using_default_initialized);
   REQUIRE_THROWS_AS(Engine{}.set(BraKet::x_x), Engine::using_default_initialized);
   REQUIRE_NOTHROW(Engine{}.set(CartesianShellNormalization::uniform));
-  REQUIRE_NOTHROW(Engine{}.set_scale(1.5));
-  REQUIRE_NOTHROW(Engine(Operator::overlap, 1, 0).set(CartesianShellNormalization::uniform).set_precision(1e-20).set(Operator::overlap).set_scale(1.3).set(BraKet::x_x));
+  REQUIRE_NOTHROW(Engine{}.prescale_by(1.5));
+  REQUIRE_NOTHROW(Engine(Operator::overlap, 1, 0).set(CartesianShellNormalization::uniform).set_precision(1e-20).set(Operator::overlap).prescale_by(1.3).set(BraKet::x_x));
 }
 
 template <typename RealBuf> void check_uniform(int l, RealBuf && S) {