def dictionate(self, d):
"""
Take dict with tuple keys (value, int_member, str_protocol) and build
a tree-like dict of dicts in which the values of d can be accessed
like::
d[value][int_member][str_protocol]
@param d: the raw results accumulated from the slave nodes
@type d: dict
@return: tree-like dict ordered by variable value, member, protocol
@rtype: dict of dict of dict of dict
"""
r = {}
keys = d.keys()
## only convert single value tuple keys into non-tuple keys
if len(keys[0]) == 1:
for k in keys:
r[k[0]] = d[k]
return r
x_values = MU.nonredundant([k[0] for k in keys])
for x in x_values:
sub_keys = [k for k in keys if k[0] == x]
y_values = MU.nonredundant([k[1:] for k in sub_keys])
r[x] = {}
for y in y_values:
r[x][y] = d[(x, ) + y]
r[x] = self.dictionate(r[x])
return r
def dictionate( self, d ):
"""
Take dict with tuple keys (value, int_member, str_protocol) and build
a tree-like dict of dicts in which the values of d can be accessed
like::
d[value][int_member][str_protocol]
@param d: the raw results accumulated from the slave nodes
@type d: dict
@return: tree-like dict ordered by variable value, member, protocol
@rtype: dict of dict of dict of dict
"""
r = {}
keys = d.keys()
## only convert single value tuple keys into non-tuple keys
if len( keys[0] ) == 1:
for k in keys:
r[ k[0] ] = d[ k ]
return r
x_values = MU.nonredundant( [ k[0] for k in keys ] )
for x in x_values:
sub_keys = [ k for k in keys if k[0] == x ]
y_values = MU.nonredundant( [ k[1:] for k in sub_keys] )
r[ x ] = {}
for y in y_values:
r[x][y] = d[ (x,) + y ]
r[ x ] = self.dictionate( r[x] )
return r
for k in [
'debug', 'verbose', 'cast', 'clean', 'w', 'all', 'heavy', 'jack',
'protein'
]:
if k in options:
options[k] = 1
for k in ['cr', 'exrec', 'exlig', 'excom']:
if k in options:
options[k] = t.toIntList(options[k])
if 'atoms' in options:
options['atoms'] = t.toList(options['atoms'])
if 'single' in options:
options['hosts'] = mu.nonredundant(options.get('hosts', hosts.cpus_all))
if 'h' in options:
options['hosts'] = options.get('hosts', hosts.cpus_all)[:options['h']]
if 'mem' in options:
ram = hosts.ram_dic
cpus = options.get('hosts', hosts.cpus_all)
options['hosts'] = []
for h in cpus:
if ram.get(h, ram['default']) >= options['mem']:
options['hosts'] += [h]
ram[h] = ram.get(h, 0) - options['mem']
## ## initialize
master = AmberEntropyMaster(**options)
options[k] = float( options[k] )
for k in ['debug', 'verbose', 'cast', 'clean', 'w', 'all', 'heavy', 'jack',
'protein']:
if k in options:
options[k] = 1
for k in [ 'cr', 'exrec', 'exlig', 'excom']:
if k in options:
options[k] = t.toIntList( options[k] )
if 'atoms' in options:
options['atoms'] = t.toList( options['atoms'] )
if 'single' in options:
options['hosts'] = mu.nonredundant( options.get('hosts', hosts.cpus_all) )
if 'h' in options:
options['hosts'] = options.get('hosts', hosts.cpus_all)[ : options['h'] ]
if 'mem' in options:
ram = hosts.ram_dic
cpus= options.get('hosts', hosts.cpus_all)
options['hosts'] = []
for h in cpus:
if ram.get(h, ram['default']) >= options['mem']:
options['hosts'] += [ h ]
ram[h] = ram.get(h, 0 ) - options['mem']
## ## initialize