class TestXMLparser:
"""Test the XMLparser class."""
def test_real_xml_file(self, real_xml_file, validate=True):
parser = XMLparser(real_xml_file, validate=validate)
assert isinstance(parser, amespahdbpythonsuite.xmlparser.XMLparser)
assert parser.verify_schema() is True
parser.to_pahdb_dict()
def test_real_xml_file2(self, real_xml_file, validate=False):
parser = XMLparser(real_xml_file, validate=validate)
assert isinstance(parser, amespahdbpythonsuite.xmlparser.XMLparser)
parser.to_pahdb_dict()
def test_real_xml_file_experimental(self, real_xml_file_experimental):
parser = XMLparser(real_xml_file_experimental)
assert isinstance(parser, amespahdbpythonsuite.xmlparser.XMLparser)
assert parser.verify_schema() is True
parser.to_pahdb_dict()
def test_illformed_xml_file(self, illformed_xml_file, validate=True):
with pytest.raises(XMLSyntaxError):
parser = XMLparser(illformed_xml_file, validate=validate)
parser.verify_schema()
def test_illformed_xml_file2(self, illformed_xml_file, validate=False):
with pytest.raises(XMLSyntaxError):
parser = XMLparser(illformed_xml_file, validate=validate)
parser.to_pahdb_dict()
def test_not_an_xml_file(self, tmpdir_factory, not_an_xml_file):
with pytest.raises(TypeError):
parser = XMLparser(not_an_xml_file)
parser.verify_schema()
parser.to_pahdb_dict()
with pytest.raises(OSError):
parser = XMLparser(filename='fake.txt')
parser.verify_schema()
def test_not_an_xml_file(self, tmpdir_factory, not_an_xml_file):
with pytest.raises(TypeError):
parser = XMLparser(not_an_xml_file)
parser.verify_schema()
parser.to_pahdb_dict()
def test_illformed_xml_file2(self, illformed_xml_file, validate=False):
with pytest.raises(XMLSyntaxError):
parser = XMLparser(illformed_xml_file, validate=validate)
parser.to_pahdb_dict()
def test_illformed_xml_file(self, illformed_xml_file, validate=True):
with pytest.raises(XMLSyntaxError):
parser = XMLparser(illformed_xml_file, validate=validate)
parser.verify_schema()
def test_real_xml_file_experimental(self, real_xml_file_experimental):
parser = XMLparser(real_xml_file_experimental)
assert isinstance(parser, amespahdbpythonsuite.xmlparser.XMLparser)
assert parser.verify_schema() is True
parser.to_pahdb_dict()
def test_real_xml_file2(self, real_xml_file, validate=False):
parser = XMLparser(real_xml_file, validate=validate)
assert isinstance(parser, amespahdbpythonsuite.xmlparser.XMLparser)
parser.to_pahdb_dict()
def test_real_xml_file(self, real_xml_file, validate=True):
parser = XMLparser(real_xml_file, validate=validate)
assert isinstance(parser, amespahdbpythonsuite.xmlparser.XMLparser)
assert parser.verify_schema() is True
parser.to_pahdb_dict()
"""
import pkg_resources
from amespahdbpythonsuite.xmlparser import XMLparser
import matplotlib.pyplot as plt
if __name__ == '__main__':
path = 'resources/pahdb-theoretical_cutdown.xml'
xml = pkg_resources.resource_filename('amespahdbpythonsuite', path)
parser = XMLparser(xml)
parser.verify_schema()
library = parser.to_pahdb_dict()
plt.bar([d['frequency'] for d in library['species'][18]['transitions']],
[d['intensity'] for d in library['species'][18]['transitions']],
20, color='red', edgecolor="none")
plt.title('stick absorption spectrum of coronene (UID=18)')
plt.xlabel('frequency [cm$^{-1}$]')
plt.ylabel('integrated cross-section [km mol$^{-1}$]')