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Commit f76ed12b authored by Ask Hjorth Larsen's avatar Ask Hjorth Larsen
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clean up old code

parent af67ba0f
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......@@ -110,90 +110,6 @@ time to end of optimisation
"""
def errprint(func):
def wrapper(backend, lines):
try:
func(backend, lines)
except Exception:
print('Error in %s: %d lines' % (func.__name__,
len(lines)))
for line in lines:
print(line, file=sys.stderr)
raise
return wrapper
def tokenize(lines):
return np.array([line.split() for line in lines], object)
"""
# XXXX copied from Siesta parser
def ArraySM(header, row, build, stop=r'', **kwargs):
class LineBuf:
def __init__(self):
self.lines = []
def addrow(self, parser):
line = parser.fIn.readline()
self.lines.append(line)
def _build_array(self, parser):
build(parser.backend.superBackend, self.lines)
self.lines = []
linebuf = LineBuf()
sm = SM(header,
name=kwargs.pop('name', 'startarray'),
required=True,
subFlags=SM.SubFlags.Sequenced,
subMatchers=[
SM('(%s)' % row, name='array', repeats=True,
forwardMatch=True,
adHoc=linebuf.addrow, required=True),
SM(stop, endReStr='', adHoc=linebuf._build_array, name='endarray',
forwardMatch=True)
],
**kwargs)
return sm
"""
"""
def get_frac_coords(backend, lines):
#print('LINES')
positions = []
symbols = []
for line in lines:
tokens = [t for t in line.split() if not t == '*']
sym = tokens[1]
assert tokens[2] == 'c'
pos = [float(x) for x in tokens[3:6]]
assert len(pos) == 3
positions.append(pos)
symbols.append(sym)
positions = np.array(positions)
symbols = np.array(symbols)
backend.addArrayValues('x_gulp_atomic_basis_symbols', symbols)
backend.addArrayValues('x_gulp_atomic_basis_positions', positions)
"""
def get_array(metaname, dtype=float, istart=0, iend=None, unit=None,
storage=None):
@errprint
def buildarray(backend, lines):
arr = tokenize(lines)
if iend is None:
arr = arr[:, istart:]
else:
arr = arr[:, istart:iend]
arr = arr.astype(dtype)
if unit is not None:
arr = convert_unit(arr, unit)
if storage is not None:
storage[metaname] = arr
else:
backend.addArrayValues(metaname, arr)
return buildarray
class GulpContext(object):
def __init__(self):
self.data = {}
......@@ -201,11 +117,6 @@ class GulpContext(object):
def startedParsing(self, fname, parser):
pass
def save_array(self, key, dtype=float, istart=0, iend=None,
unit=None):
return get_array(key, dtype=dtype, istart=istart, iend=iend, unit=unit,
storage=self.data)
def onClose_section_system(self, backend, gindex, section):
data = self.data
print(list(data.keys()))
......@@ -319,7 +230,6 @@ class GulpContext(object):
allgroups.append(thislinegroups)
def savearray(parser):
print('SAVE', name)
arr = np.array(allgroups, dtype=object)
del allgroups[:]
if name in self.data:
......
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