def main(self):
#connect to db
from dsaw.db import connect
f = file('devDbPass.txt')
passwd = f.read()
db = connect(db ='postgres://*****:*****@vnf.caltech.edu/vnfa2b',echo=True)
#db = connect(db ='postgres:///test',echo=1)
db.autocommit(True)
from dsaw.model.visitors.OrmManager import OrmManager
orm = OrmManager(db, guid)
#create settings
from memd.gulp.GulpSettings import GulpSettings
gulpSettings = GulpSettings(runtype='md')
gulpSettings.runtype='phonons'
#from matter.Structure import Structure
#from matter.orm.Structure import Structure
from vnfb.dom.AtomicStructure import Structure
s = orm.load(Structure, '3W4G7NUM')
gulpSettings.structure = s
from memd.gulp.GulpPotential import GulpPotential
p = orm.load(GulpPotential, '41')
gulpSettings.potential = p
#store settings in db
orm.save(gulpSettings)
# these last few lines will eventually be taken care of by the orm
#create data directory for the simulation if necessary
datadir = self.dds.abspath(orm(gulpSettings))
if not os.path.exists(datadir): os.makedirs(datadir)
inputFileContents = 'energy/n'
inputFilePath = self.dds.abspath(orm(gulpSettings), filename=GulpSettings.inputFile)
open(inputFilePath, 'w').write(inputFileContents)
#these lines should be executed right before the job is submitted
#get the potential from the database
gulpPotential = gulpSettings.potential
potentialPath = self.dds.abspath(orm(gulpPotential), filename=gulpPotential.filename)
potentialContent = open(potentialPath).read()
#write the potential in the simulation directory
simulationPotential = self.dds.abspath(orm(gulpSettings), filename=gulpPotential.filename)
open(simulationPotential, 'w').write(potentialContent)
#retrieve the d.o.
gulpSettings2 = orm.load(GulpSettings, id = orm(gulpSettings).id)
print gulpSettings2.runtype
#db.destroyAllTables()
f = open('guid.dat','w')
f.write(str(_id))
f.close()
def setup():
from dsaw.db import connect
db = connect(db='postgres:///vnfa2b')
from vnf.components.DOMAccessor import DOMAccessor
da = DOMAccessor('proxy')
da.db=db
from vnf.dom import alltables
for t in alltables(): db.registerTable(t)
return da
def testDelete():
from dsaw.db import connect
db = connect(db='postgres:///vnfa2b')
from vnf.dom import alltables
for t in alltables(): db.registerTable(t)
import atomicstructure
da = atomicstructure.Accessor()
da.db = db
id = '6AGGUMN'
da.removeAtomicStructure(id)
return
def dbManager(self):
from dsaw.db import connect
db = connect(db ='postgres:///test-pyre-db') #, echo=True)
db.autocommit(True)
return db
_id = 0
def guid():
global _id
_id += 1
return str(_id)
#Create settings
###########################
from memd.gulp.GulpSettings import GulpSettings
gulpSettings = GulpSettings(runtype='md')
gulpSettings.runtype='phonons'
#Store settings in db
####################
from dsaw.db import connect
#db = connect(db ='postgres://*****:*****@localhost/vnfa2b')
db = connect(db ='postgres:///test',echo=1)
db.autocommit(True)
from dsaw.model.visitors.OrmManager import OrmManager
orm = OrmManager(db, guid)
orm.save(gulpSettings)
# retrieve the d.o.
###################
gulpSettings2 = orm.load(GulpSettings, id = orm(gulpSettings).id)
print gulpSettings2.runtype
#db.destroyAllTables()
def dbManager(self):
from dsaw.db import connect
db = connect(db='sqlite:///%s' % self.dbname)
db.autocommit(True)
return db
def _dbManager(self):
from dsaw.db import connect
db = connect(db='postgres:///test')
db.autocommit(True)
return db
def _dbManager(self):
from dsaw.db import connect
db = connect(db ='postgres:///test')
db.autocommit(True)
return db
from dsaw.db import connect
db = connect(db ='postgres:///test')
db.autocommit(True)
# declare tables
from dsaw.db.WithID import WithID
class SomeClass(WithID):
myattribute = 'cake'
def sayhi(self):
print 'hi'
db.registerTable(SomeClass)
db.createAllTables()
t1 = SomeClass()
t1.id = 't1'
t1.myattribute = 'bigcake'
db.insertRow(t1)
t1.myattribute = 'biggercake'
db.updateRecord(t1)
db.destroyAllTables()
import sys print sys.path from dsaw.db import connect db = connect(db ='postgres:///test') db.autocommit(True) # declare tables from matter.Lattice import Lattice #db.registerTable(Lattice) #db.createAllTables() db.createTable(Lattice) l1 = Lattice() l1.id = 'l1' db.insertRow(l1) #t1.myattribute = 'biggercake' #db.updateRecord(t1) db.destroyAllTables()
def test1(self):
'dsaw.db.Psycopg2: connect'
from dsaw.db import connect
db = connect(db='postgres:///test')
return
def dbManager(self):
from dsaw.db import connect
#db = connect(db ='sqlite:///memory')
db = connect(db='postgres:///test', echo=True)
db.autocommit(True)
return db
# connect to current idd server
#import pyre.idd
##create an INET, STREAMing socket
#import socket
#s = socket.socket(
# socket.AF_INET, socket.SOCK_STREAM)
##now connect to the web server on port 80
## - the normal http port
#s.connect(("localhost", 80))
#pyre.idd.session
#connect to db
from dsaw.db import connect
f = file('devDbPass.txt')
passwd = f.read()
db = connect(db ='postgres://*****:*****@vnf.caltech.edu/vnfa2b',echo=True)
#db = connect(db ='postgres:///test',echo=1)
db.autocommit(True)
from dsaw.model.visitors.OrmManager import OrmManager
orm = OrmManager(db, guid)
from memd.gulp.GulpPotential import GulpPotential
from vnfb.components import dds
#gulpPotential = GulpPotential()
#gulpPotential.potential_name = 'first'
#orm.save(gulpPotential)
import os
ddsObj = dds()
ddsObj._init()
ddsObj.inventory.dataroot = os.path.abspath('.')
from dsaw.db import connect
db = connect(db='postgres:///test', echo=True)
db.autocommit(True)
from dsaw.model.visitors.OrmManager import OrmManager
orm = OrmManager(db)
from matter.orm.Atom import Atom
from matter.orm.Lattice import Lattice
from matter.orm.Structure import Structure
at1 = Atom('C', [0.333333333333333, 0.666666666666667, 0])
at1.id = 'at1'
at2 = Atom('C', [0.666666666666667, 0.333333333333333, 0])
at2.id = 'at2'
hexag = Lattice(1, 1, 1, 90, 90, 120)
hexag.id = 'hexag'
graphite = Structure([at1, at2], lattice=hexag)
graphite.id = 'graphite'
orm.save(graphite)
orm.destroyAllTables()
def _createDB(self):
db = self.inventory.db
from dsaw.db import connect
db = connect(db=db, echo=self.inventory.echo)
self._registerTables(db)
return db
def _createDB(self):
db = self.inventory.db
from dsaw.db import connect
db = connect(db=db, echo=self.inventory.echo)
self._registerTables(db)
return db
