@Test public void readNonStructuralData_wrap() throws Exception { StringBuilder sb = new StringBuilder(); sb.append("> <LONG_PROPERTY>").append('\n'); sb.append("This is a long property which should be wrapped when stored as field in an SDF D"); sb.append('\n'); sb.append("ata entry"); sb.append('\n'); BufferedReader input = new BufferedReader(new StringReader(sb.toString())); IAtomContainer mock = mock(IAtomContainer.class); MDLV2000Reader.readNonStructuralData(input, mock); verify(mock).setProperty("LONG_PROPERTY", "This is a long property which should be wrapped when stored as field in an SDF Data entry"); }
@Test public void readNonStructuralData_emtpy() throws Exception { // a single space is read as a property StringBuilder sb = new StringBuilder(); sb.append("> <ONE_SPACE>").append('\n'); sb.append(" ").append('\n'); sb.append('\n'); // empty entries are read as non-null - so m.getProperty() does not // return null sb.append("> <EMTPY_LINES>").append('\n'); sb.append('\n'); sb.append('\n'); sb.append('\n'); BufferedReader input = new BufferedReader(new StringReader(sb.toString())); IAtomContainer mock = mock(IAtomContainer.class); MDLV2000Reader.readNonStructuralData(input, mock); verify(mock).setProperty("ONE_SPACE", " "); verify(mock).setProperty("EMTPY_LINES", ""); }
@Test public void readNonStructuralData() throws Exception { StringBuilder sb = new StringBuilder(); sb.append("> 29 <DENSITY>").append('\n'); sb.append("0.9132 - 20.0").append('\n'); sb.append('\n'); sb.append("> 29 <BOILING.POINT>").append('\n'); sb.append("63.0 (737 MM)").append('\n'); sb.append("79.0 (42 MM)").append('\n'); sb.append('\n'); sb.append("> 29 <ALTERNATE.NAMES>").append('\n'); sb.append("SYLVAN").append('\n'); sb.append('\n'); sb.append("> 29 <DATE>").append('\n'); sb.append("09-23-1980").append('\n'); sb.append('\n'); sb.append("> 29 <CRC.NUMBER>").append('\n'); sb.append("F-0213").append('\n'); sb.append('\n'); BufferedReader input = new BufferedReader(new StringReader(sb.toString())); IAtomContainer mock = mock(IAtomContainer.class); MDLV2000Reader.readNonStructuralData(input, mock); verify(mock).setProperty("DENSITY", "0.9132 - 20.0"); verify(mock).setProperty("BOILING.POINT", "63.0 (737 MM)\n79.0 (42 MM)"); verify(mock).setProperty("ALTERNATE.NAMES", "SYLVAN"); verify(mock).setProperty("DATE", "09-23-1980"); verify(mock).setProperty("CRC.NUMBER", "F-0213"); }
readNonStructuralData(input, outputContainer);