def test_plot_singles(self):
myfig, freqs, __ = plots.compare_groups_of_contacts({"CG1":self.CG1,"CG2":self.CG2},
ctc_cutoff_Ang=1.5,
plot_singles=True)
myfig.tight_layout()
#myfig.savefig("4.test.png",bbox_inches="tight")
_plt.close("all")
def test_color_list(self):
myfig, freqs, __ = plots.compare_groups_of_contacts({"CG1": self.CG1, "CG2": self.CG2},
["r","g"],
ctc_cutoff_Ang=1.5)
myfig.tight_layout()
# myfig.savefig("1.test.png",bbox_inches="tight")
_plt.close("all")
def test_mutation(self):
myfig, freqs, __ = plots.compare_groups_of_contacts({"CG1":self.CG1,"CG2":self.CG2},
ctc_cutoff_Ang=1.5,
mutations_dict={"3":"2"})
myfig.tight_layout()
#myfig.savefig("2.test.png",bbox_inches="tight")
_plt.close("all")
def test_per_residue(self):
myfig, freqs, __ = plots.compare_groups_of_contacts([self.CG1, self.CG2],
ctc_cutoff_Ang=1.5,
per_residue=True)
myfig.tight_layout()
#myfig.savefig("1.per_residue.test.png",bbox_inches="tight")
_plt.close("all")
def test_with_freqdict(self):
myfig, __, __ = plots.compare_groups_of_contacts({"CG1":self.CG1,
"CG2":self.CG2,
"CG2d":{"0-1":1, "0-3":1/3}},
{"CG1":"r", "CG2":"b", "CG2d":"g"},
ctc_cutoff_Ang=1.5)
# myfig.savefig("7.test.png",bbox_inches="tight")
_plt.close("all")
def test_with_CG_freqdict_file_as_list(self):
with _TDir(suffix="_test_mdciao") as tmpdir:
freqfile = os.path.join(tmpdir, "freqtest.dat")
self.CG2.frequency_table(1.5,freqfile)
myfig, __, __ = plots.compare_groups_of_contacts([self.CG1,
self.CG2,
{"0-1":1, "0-3":1/3},
freqfile],
ctc_cutoff_Ang=1.5)
#myfig.savefig("8.test.png")
_plt.close("all")
def test_with_freqdat(self):
with _TDir(suffix="_test_mdciao") as tmpdir:
freqfile = os.path.join(tmpdir,"freqtest.dat")
self.CG2.frequency_table(1.5, freqfile)
myfig, __, __ = plots.compare_groups_of_contacts({"CG1":self.CG1,
"CG2":self.CG2,
"CG2f":freqfile},
{"CG1":"r", "CG2":"b", "CG2f":"g"},
ctc_cutoff_Ang=1.5)
# myfig.savefig("6.test.png",bbox_inches="tight")
_plt.close("all")
def test_interface(self):
intf1 = _cli_interface(_md.load(test_filenames.actor_pdb),
fragments=[_np.arange(868, 875 + 1), # ICL2
_np.arange(328, 353 + 1)], # Ga5,
ctc_cutoff_Ang=30,
no_disk=True,
figures=False
)
intf2 = _cli_interface(_md.load(test_filenames.actor_pdb),
fragments=[_np.arange(860, 875 + 1), # ICL2
_np.arange(320, 353 + 1)], # Ga5,
ctc_cutoff_Ang=30,
no_disk=True,
figures=False
)
ifig, __, __ = plots.compare_groups_of_contacts({"1": intf1, "2":intf2}, ctc_cutoff_Ang=30,interface=True)
def test_distro(self):
CG : ContactGroup = ContactGroupL394()
plots.compare_groups_of_contacts([CG,CG],distro=True)
def test_just_works_list(self):
myfig, freqs, __ = plots.compare_groups_of_contacts([self.CG1, self.CG2],
ctc_cutoff_Ang=1.5)
myfig.tight_layout()
#myfig.savefig("1.1.test.png",bbox_inches="tight")
_plt.close("all")