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