def unit_test():
import Atom
Atom.unit_test()
import PeakAssignment
PeakAssignment.unit_test()
import CrossPeak
CrossPeak.unit_test()
import CrossPeakList
CrossPeakList.unit_test()
import CrossPeakInfo
CrossPeakInfo.unit_test()
import Resonance
Resonance.unit_test()
import ResonanceList
ResonanceList.unit_test()
import DistanceRestraint
DistanceRestraint.unit_test()
import NoeStrip
NoeStrip.unit_test()
s='''
# Number of dimensions 3
#FILENAME resort_c-ali
#FORMAT xeasy3D
#INAME 1 c
#INAME 2 H
#INAME 3 h
#CYANAFORMAT cHh
#TOLERANCE 0.3 0.04 0.03
1 40.932 4.805 0.522 1 U 2.114E+05 0.000E+00 e 0
5 45.226 6.787 2.695 1 U 1.161E+05 0.000E+00 e 0
6 40.719 1.831 1.764 1 U 1.355E+06 0.000E+00 e 0
7 40.847 0.934 1.743 1 U 1.674E+05 0.000E+00 e 0
'''
r='''
1 1.794 0.040 HA 4 MET M
2 1.75 0.040 HB2 4 MET M
3 1.79 0.040 HB3 4 MET M
4 1.919 0.040 QE 4 MET M
7 0.525 0.040 QG 4 MET M
9 175.642 0.400 C 5 MET M
10 54.943 0.400 CA 5 MET M
11 40.407 0.400 CB 4 MET M
12 16.931 0.400 CE 4 MET M
13 40.943 0.400 CG 4 MET M
14 4.8 0.4 H 12 LEU L
'''
from StringIO import StringIO
rl=ResonanceList.ResonanceList.read_from_stream(StringIO(r))
cl=CrossPeakList.CrossPeakList.read_from_stream(StringIO(s))
cl.assign_resonances( rl )
print cl
for c in cl._peaks:
print c
print rl
