1 package jalview.structure;
3 import static org.testng.Assert.assertEquals;
4 import static org.testng.Assert.assertNull;
5 import static org.testng.Assert.fail;
7 import org.testng.annotations.Test;
9 public class AtomSpecTest
12 public void testFromChimeraAtomSpec_chimera()
14 AtomSpec as = AtomSpec.fromChimeraAtomspec("#1:12.B", false);
15 assertEquals(as.getModelNumber(), 1);
16 assertEquals(as.getPdbResNum(), 12);
17 assertEquals(as.getChain(), "B");
18 assertNull(as.getPdbFile());
20 // no model - default to zero
21 as = AtomSpec.fromChimeraAtomspec(":13.C", false);
22 assertEquals(as.getModelNumber(), 0);
23 assertEquals(as.getPdbResNum(), 13);
24 assertEquals(as.getChain(), "C");
25 assertNull(as.getPdbFile());
28 as = AtomSpec.fromChimeraAtomspec("#3.2:15", false);
29 assertEquals(as.getModelNumber(), 3);
30 assertEquals(as.getPdbResNum(), 15);
31 assertEquals(as.getChain(), "");
32 assertNull(as.getPdbFile());
34 String spec = "3:12.B";
37 as = AtomSpec.fromChimeraAtomspec(spec, false);
38 fail("Expected exception for " + spec);
39 } catch (IllegalArgumentException e)
47 as = AtomSpec.fromChimeraAtomspec(spec, false);
48 fail("Expected exception for " + spec);
49 } catch (IllegalArgumentException e)
57 as = AtomSpec.fromChimeraAtomspec(spec, false);
58 fail("Expected exception for " + spec);
59 } catch (IllegalArgumentException e)
67 as = AtomSpec.fromChimeraAtomspec(spec, false);
68 fail("Expected exception for " + spec);
69 } catch (NullPointerException e)
76 public void testFromChimeraAtomSpec_chimeraX()
78 AtomSpec as = AtomSpec.fromChimeraAtomspec("#1/B:12", true);
79 assertEquals(as.getModelNumber(), 1);
80 assertEquals(as.getPdbResNum(), 12);
81 assertEquals(as.getChain(), "B");
82 assertNull(as.getPdbFile());
84 // no model - default to zero
85 as = AtomSpec.fromChimeraAtomspec("/C:13", true);
86 assertEquals(as.getModelNumber(), 0);
87 assertEquals(as.getPdbResNum(), 13);
88 assertEquals(as.getChain(), "C");
89 assertNull(as.getPdbFile());
92 as = AtomSpec.fromChimeraAtomspec("#3.2/:15", true);
93 assertEquals(as.getModelNumber(), 3);
94 assertEquals(as.getPdbResNum(), 15);
95 assertEquals(as.getChain(), "");
96 assertNull(as.getPdbFile());
98 String spec = "3:12.B";
101 as = AtomSpec.fromChimeraAtomspec(spec, true);
102 fail("Expected exception for " + spec);
103 } catch (IllegalArgumentException e)
111 as = AtomSpec.fromChimeraAtomspec(spec, true);
112 fail("Expected exception for " + spec);
113 } catch (IllegalArgumentException e)
121 as = AtomSpec.fromChimeraAtomspec(spec, true);
122 fail("Expected exception for " + spec);
123 } catch (IllegalArgumentException e)
131 as = AtomSpec.fromChimeraAtomspec(spec, true);
132 fail("Expected exception for " + spec);
133 } catch (NullPointerException e)