def __init__(self): PairDaemon.__init__(self, user, db, pt, payload, process_name)
def prepare(self, pid, cid, templ):
dir = self.path.pairdir(pid, cid)
os.chdir(dir)
log_name = '{}/{}_{}_{}.out'.format(self.path.log, self.proc_name, pid,
cid)
templ = self.template.format(log_name)
target = '{}_{}.sbatch'.format(self.path.project_name, self.proc_name)
open(target, 'w').write(templ)
self.command = 'sbatch ' + target
PairDaemon.prepare(self, pid, cid, templ)
def prepare(self, pid, cid, templ):
dir = self.path.pairdir(pid, cid)
os.system('mkdir ' + dir)
os.chdir(dir)
os.system('cp {} receptor.pdbqt'.format(pt.receptorpdbqt(pid)))
log_name = '{}/{}_{}_{}.out'.format(self.path.log, self.proc_name, pid,
cid)
templ = self.template.format(log_name, self.path.ligandpdbqt(cid))
target = '{}_{}.sbatch'.format(self.path.project_name, self.proc_name)
open(target, 'w').write(templ)
self.command = 'sbatch ' + target
PairDaemon.prepare(self, pid, cid, templ)
def resume(self, pid, cid):
target = '{}_{}.sbatch'.format(self.path.project_name, self.proc_name)
os.system('rm -f {}'.format(target))
PairDaemon.resume(self, pid, cid)