text: /******************************************************************************
  
    This source file is part of the Avogadro project.
  
    Copyright 2011-2012 Kitware, Inc.
  
    This source code is released under the New BSD License, (the "License").
  
    Unless required by applicable law or agreed to in writing, software
    distributed under the License is distributed on an "AS IS" BASIS,
    WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
    See the License for the specific language governing permissions and
    limitations under the License.
  
  ******************************************************************************/
  
  #include <gtest/gtest.h>
  
  #include <avogadro/core/elements.h>
  #include <avogadro/core/utilities.h>
  
  using Avogadro::Core::Elements;
  
  TEST(ElementTest, symbolSingles)
  {
    EXPECT_EQ(Elements::atomicNumberFromSymbol("H"), 1);
    EXPECT_EQ(Elements::atomicNumberFromSymbol("C"), 6);
    EXPECT_EQ(Elements::atomicNumberFromSymbol("S"), 16);
    EXPECT_EQ(Elements::atomicNumberFromSymbol("U"), 92);
    EXPECT_EQ(Elements::atomicNumberFromSymbol("X"), Avogadro::InvalidElement);
  }
  
  TEST(ElementTest, symbolDoubles)
  {
    EXPECT_EQ(Elements::atomicNumberFromSymbol("He"), 2);
    EXPECT_EQ(Elements::atomicNumberFromSymbol("Fe"), 26);
    EXPECT_EQ(Elements::atomicNumberFromSymbol("Uuh"), 116);
    EXPECT_EQ(Elements::atomicNumberFromSymbol("Xe"), 54);
    EXPECT_EQ(Elements::atomicNumberFromSymbol("Xeee"), Avogadro::InvalidElement);
  }
  
  TEST(ElementTest, names)
  {
    EXPECT_STREQ(Elements::name(1), "Hydrogen");
    EXPECT_STREQ(Elements::name(6), "Carbon");
    EXPECT_STREQ(Elements::name(Elements::atomicNumberFromSymbol("Fe")), "Iron");
  }
  
  TEST(ElementTest, masses)
  {
    EXPECT_EQ(Elements::mass(1), 1.00794);
    EXPECT_EQ(Elements::mass(6), 12.0107);
  }
  
  TEST(ElementTest, radiusVDW)
  {
    EXPECT_EQ(Elements::radiusVDW(1), 1.2);
    EXPECT_EQ(Elements::radiusVDW(6), 1.7);
  }
  
  TEST(ElementTest, radiusCovalent)
  {
    EXPECT_EQ(Elements::radiusCovalent(1), 0.37);
    EXPECT_EQ(Elements::radiusCovalent(6), 0.77);
  }
  
  TEST(ElementTest, colors)
  {
    EXPECT_EQ(Elements::color(1)[0], 255);
    EXPECT_EQ(Elements::color(1)[1], 255);
    EXPECT_EQ(Elements::color(1)[2], 255);
    EXPECT_EQ(Elements::color(5)[0], 255);
    EXPECT_EQ(Elements::color(5)[1], 181);
    EXPECT_EQ(Elements::color(5)[2], 181);
    EXPECT_EQ(Elements::color(6)[0], 127);
    EXPECT_EQ(Elements::color(6)[1], 127);
    EXPECT_EQ(Elements::color(6)[2], 127);
  }
  
  TEST(ElementTest, dummyElement)
  {
    EXPECT_EQ(Elements::radiusVDW(0), 0.69);
    EXPECT_EQ(Elements::radiusCovalent(0), 0.18);
  }
  
  TEST(ElementTest, customElements)
  {
    for (unsigned char i = Avogadro::CustomElementMin;
         i <= Avogadro::CustomElementMax; ++i) {
      std::string name = Elements::name(i);
      std::string symbol = Elements::symbol(i);
      // These should not return the dummy labels
      EXPECT_TRUE(Avogadro::Core::isCustomElement(i));
      EXPECT_STRNE(name.c_str(), Elements::name(0));
      EXPECT_STRNE(symbol.c_str(), Elements::symbol(0));
      // The last two characters must match:
      EXPECT_EQ(name.substr(name.size() - 2), symbol.substr(symbol.size() - 2));
      // Round trip:
      EXPECT_EQ((int)Elements::atomicNumberFromName(name), (int)i);
      EXPECT_EQ((int)Elements::atomicNumberFromSymbol(symbol), (int)i);
    }
  }
  