"Fossies" - the Fresh Open Source Software Archive  

Source code changes of the file "specific_analyses/model_free/back_compat.py" between
relax-4.1.3.src.tar.bz2 and relax-5.0.0.src.tar.bz2

About: relax allows the study of molecular dynamics through the analysis of experimental NMR data. Organic molecules, proteins, RNA, DNA, sugars, and other biomolecules are all supported.

back_compat.py  (relax-4.1.3.src.tar.bz2):back_compat.py  (relax-5.0.0.src.tar.bz2)
skipping to change at line 1104 skipping to change at line 1104
@type spin_hash1: str @type spin_hash1: str
@keyword spin_hash2: The unique hash of the second spin. @keyword spin_hash2: The unique hash of the second spin.
@type spin_hash2: str @type spin_hash2: str
@keyword verbosity: A variable specifying the amount of information to p rint. The higher the value, the greater the verbosity. @keyword verbosity: A variable specifying the amount of information to p rint. The higher the value, the greater the verbosity.
@type verbosity: int @type verbosity: int
""" """
# Get the interatomic data container. # Get the interatomic data container.
interatom = return_interatom(spin_hash1=spin_hash1, spin_hash2=spin_hash2) interatom = return_interatom(spin_hash1=spin_hash1, spin_hash2=spin_hash2)
if interatom == None: if interatom == None:
raise RelaxError("No interatomic interaction between spins '%s' and '%s' could be found." (spin_id1, spin_id2)) raise RelaxError("No interatomic interaction between spins '%s' and '%s' could be found." % (spin_id1, spin_id2))
# The vector. # The vector.
vector = eval(spin_line[col['xh_vect']]) vector = eval(spin_line[col['xh_vect']])
if vector: if vector:
# numpy array format. # numpy array format.
try: try:
vector = array(vector, float64) vector = array(vector, float64)
except: except:
raise RelaxError("The XH unit vector " + spin_line[col['xh_vect']] + " is invalid.") raise RelaxError("The XH unit vector " + spin_line[col['xh_vect']] + " is invalid.")
 End of changes. 1 change blocks. 
1 lines changed or deleted 1 lines changed or added

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