1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
|
# Copyright 2005-2007 Nanorex, Inc. See LICENSE file for details.
"""
SimServer.py - hold attributes needed to connect to and run a SimJob.
(Appears to be specific to GAMESS in some ways.)
[bruce 071217 guess at description]
@author: Mark
@version: $Id$
@copyright: 2005-2007 Nanorex, Inc. See LICENSE file for details.
History:
By Mark. A lot of changes made by Huaicai.
"""
import sys
import foundation.env as env
class SimServer:
"""
a SimServer has all the attributes needed to connect to and run a SimJob.
"""
server_parms = {
'hostname' : 'localhost',
'ipaddress' : '127.0.0.1',
'method' : 'Local access',
'engine' : 'PC GAMESS',
'program' : 'C:\\PCGAMESS\\gamess.exe',
'tmpdir' : 'C:\\PCGAMESS\\',
'platform' : 'Windows',
'username' : 'nanorex',
'password' : '',
}
def __init__(self):
"""
Create a server with default parameters.
@note: If you want to change properties of the server,
call set_parms() instead.
"""
self.server_id = env.prefs.get('server_id')
if not self.server_id:
self.server_id = 66
else:
self.server_id += 1
env.prefs['server_id'] = self.server_id
self.parms = SimServer.server_parms
if sys.platform == 'linux2':
self.parms['platform'] = 'Linux'
self.parms['program'] = '/home/huaicai/gamess/rungms'
self.parms['engine'] = 'GAMESS'
elif sys.platform == 'darwin':
self.parms['program'] = 'rungms'
self.parms['platform'] = 'Mac Os'
self.parms['engine'] = 'GAMESS'
self.parms.keys().sort() # Sort parms.
### WARNING: Bugs will be caused if any of SimJob's own methods or
# instance variables had the same name as any of the parameter ('k') values.
for k in self.parms:
self.__dict__[k] = self.parms[k]
self.edit_cntl = None
def __getstate__(self):
"""
Called by pickle
"""
return self.server_id, self.parms, self.edit_cntl
def __setstate__(self, state):
"""
Called by unpickle
"""
self.server_id, self.parms, self.edit_cntl = state
self.set_parms(self.parms)
def set_parms(self, parms):
self.parms = parms
for k in parms:
self.__dict__[k] = parms[k]
def write_parms(self, f): # deprecated method
"""
[deprecated method]
Write server parms to file f
"""
rem = self.get_comment_character()
f.write (rem + '\n' + rem + 'Server Parameters\n' + rem + '\n')
for k in self.parms:
phrase = rem + k + ': ' + str(self.__dict__[k])
f.write (phrase + '\n')
f.write (rem+'\n')
pass
# end
|
