def update_will_roster_and_rooms(self):
internal_roster = self.load('will_roster', {})
for roster_id in self.roster:
cur_roster = self.roster[roster_id]
for user_id in cur_roster:
user_data = cur_roster[user_id]
if user_data["name"] != "":
if not user_id in internal_roster:
internal_roster[user_id] = Bunch()
hipchat_id = user_id.split("@")[0].split("_")[1]
internal_roster[user_id].update({
"name": user_data["name"],
"jid": user_id,
"hipchat_id": hipchat_id,
})
if not hasattr(internal_roster[user_id], "nick"):
user_data = self.get_hipchat_user(hipchat_id)
internal_roster[user_id].nick = user_data["mention_name"]
internal_roster[user_id].mention_name = user_data["mention_name"]
if internal_roster[user_id]["name"] == self.nick:
self.me = internal_roster[user_id]
self.save("will_roster", internal_roster)
def update_will_roster_and_rooms(self):
internal_roster = self.load('will_roster', {})
# Loop through the connected rooms
for roster_id in self.roster:
cur_roster = self.roster[roster_id]
# Loop through the users in a given room
for user_id in cur_roster:
user_data = cur_roster[user_id]
if user_data["name"] != "":
# If we don't have this user in the internal_roster, add them.
if not user_id in internal_roster:
internal_roster[user_id] = Bunch()
hipchat_id = user_id.split("@")[0].split("_")[1]
# Update their info
internal_roster[user_id].update({
"name": user_data["name"],
"jid": user_id,
"hipchat_id": hipchat_id,
})
# If we don't have a nick yet, pull it and mention_name off the master user list.
if not hasattr(internal_roster[user_id], "nick"):
user_data = self.full_hipchat_user_list[hipchat_id]
internal_roster[user_id].nick = user_data["mention_name"]
internal_roster[user_id].mention_name = user_data["mention_name"]
# If it's me, save that info!
if internal_roster[user_id]["name"] == self.nick:
self.me = internal_roster[user_id]
self.save("will_roster", internal_roster)
self.update_available_rooms()
def load_model_path(path, config=None):
if config is None:
config = get_config(path)
if type(config) is dict:
config = Bunch(**config)
config.model_path = path
# net = BasicNetwork(config)
net = M2Net(config)
net.eval()
return net
def getFilterLinesExtended(self,
includeMS1=True,
includeMS2=False,
includePosPolarity=True,
includeNegPolarity=True):
filterLines = {}
if includeMS1:
for scan in self.MS1_list:
if (includePosPolarity and scan.polarity == "+") or (
includeNegPolarity and scan.polarity == "-"):
if scan.filter_line not in filterLines.keys():
filterLines[scan.filter_line] = Bunch(
scanType="MS1",
polarity=scan.polarity,
targetStartTime=10000000,
targetEndTime=0)
filterLines[scan.filter_line].targetStartTime = min(
filterLines[scan.filter_line].targetStartTime,
scan.retention_time)
filterLines[scan.filter_line].targetEndTime = min(
filterLines[scan.filter_line].targetEndTime,
scan.retention_time)
if includeMS2:
for scan in self.MS2_list:
if (includePosPolarity and scan.polarity == "+") or (
includeNegPolarity and scan.polarity == "-"):
if scan.filter_line not in filterLines.keys():
filterLines[scan.filter_line] = Bunch(
scanType="MS2",
polarity=scan.polarity,
targetStartTime=10000000,
targetEndTime=0,
preCursorMz=[],
colisionEnergy=0)
filterLines[scan.filter_line].targetStartTime = min(
filterLines[scan.filter_line].targetStartTime,
scan.retention_time)
filterLines[scan.filter_line].targetEndTime = max(
filterLines[scan.filter_line].targetEndTime,
scan.retention_time)
filterLines[scan.filter_line].preCursorMz.append(
scan.precursor_mz)
filterLines[
scan.filter_line].colisionEnergy = scan.colisionEnergy
for k, v in filterLines.items():
if v.scanType == "MS2":
v.preCursorMz = sum(v.preCursorMz) / len(v.preCursorMz)
return filterLines
def _post_exec(self):
if self.count:
return
phi = DefaultOrderedDict(list)
psi = DefaultOrderedDict(list)
if self.compare_pdb and self.compare_sele:
s = self.compare_sele
b = Bunch(chain1=s["chain"],
resno1=s["resno"][0],
chain2=s["chain"],
resno2=s["resno"][1],
pdb_id="COMP",
no=0)
n = numpdb.NumPdb(self.compare_pdb)
self.elements = [(b, n)]
it = itertools.groupby(self.records, operator.attrgetter('pdb_id'))
sf = SstrucFinderRefine([list(r) for pdb_id, r in it],
pdb_archive=self.pdb_archive,
window=self.window,
parallel="data")
self.elements += sf.elements
# rama_plot(
# zip( phi.values(), psi.values() ),
# titles = map( str, window )
# )
self._superpose_elements()
self._msa_elements()
def select_bootstrapper(f,argv):
parser = OptionParser()
parser.add_option( '--select-bootstrapper', dest="boot", action='store_true', help="the bootstrapper version to use")
(values,args)=parser.parse_args(argv[1:],Bunch(boot=False))
if not values.boot:
raise XmakeException("inconsistent use of bootstrapper option")
if len(args) == 0:
"check and notify about the actually configured bootstrapper"
if isfile(f):
log.info("determining bootstrapper")
v=get_first_line(f,'cannot read '+f)
if v!=None:
log.info("actual bootstrapper version is "+v)
else:
log.info("no bootstrapper version configured in "+f)
else:
log.info("no bootstrapper version configured")
else:
"set or change the bootstrapper version to use"
if len(args)!=1:
raise XmakeException("only one version argument possible")
(v,_)=load_latest(args[0])
with open(f,"w") as b:
b.write(v+"\n")
log.info("setting bootstrapper to version "+v)
def load_model_path(path, config):
if type(config) is dict:
config = Bunch(**config)
config.model_path = path
if config.net == 'basic':
net = BasicNetwork(config)
elif config.net == 'state':
net = StateNet(config)
elif config.net == 'hypothesis':
net = HypothesisNet(config)
else:
raise NotImplementedError
net.eval()
return net
def test_fixed_pts():
torch.manual_seed(4)
np.random.seed(3)
random.seed(0)
D2 = 3
D1 = 50
fixed_pts = 1
t_len = 1000
args = Bunch(
N=500,
D1=D1,
D2=D2,
# fixed_pts=fixed_pts,
fixed_beta=1.5,
res_x_seed=0,
res_seed=0,
res_init_g=1.5)
reservoir = M2Reservoir(args)
if fixed_pts > 0:
# patterns = (2 * np.eye(args.N)-1)[:fixed_pts, :]
reservoir.add_fixed_points(fixed_pts)
# print(len(patterns))
# pdb.set_trace()
us = np.random.normal(0, .3, (16, D1))
# us = np.zeros((16, D1))
# us = np.random.normal(0, 1, (1, D1)) + np.random.normal(0, 0.1, (16, D1))
us = torch.as_tensor(us, dtype=torch.float)
vs = []
for i, u in enumerate(us):
reservoir.reset()
trial_vs = []
for t in range(t_len):
if t < 500:
v = reservoir(u)
else:
v = reservoir(None)
trial_vs.append(v.detach())
print(reservoir.x.detach().numpy()[0, :5])
trial_vs = torch.cat(trial_vs)
vs.append(trial_vs.numpy())
fig, axes = plt.subplots(nrows=4,
ncols=4,
sharex=True,
sharey=True,
figsize=(16, 12))
cools = plt.cm.cool(np.linspace(0, 1, D2))
xaxis = range(t_len)
for i, ax in enumerate(axes.ravel()):
for j in range(D2):
ax.plot(xaxis, vs[i][:, j], color=cools[j])
fig_format.hide_frame(*axes.ravel())
plt.show()
def getPeaksFor(self, times, eic, scales=None, snrTh=0.1, startIndex=None, endIndex=None):
peaks=self.findPeaks(times, eic)
ret=[]
for peak in peaks:
ret.append(Bunch(peakIndex=peak.peakIndex, peakScale=(peak.peakRightFlank+peak.peakLeftFlank)/2, peakSNR=100, peakArea=peak.peakArea, peakLeftFlank=peak.peakLeftFlank, peakRightFlank=peak.peakRightFlank))
return ret
def pairwise_align(sequences_by_species):
sequences = []
for key, value in sequences_by_species.items():
sequences += value
sequences_count = len(sequences)
alignments = [[None for i in range(sequences_count)]
for j in range(sequences_count)]
for i in range(sequences_count):
print(sequences[i].specie)
for j in range(sequences_count):
alignments[i][j] = protein_align(sequences[i], sequences[j])
return Bunch(sequences=sequences, alignments=alignments)
def calcNucleotide(s1, s2, step, mutations):
nseq1 = nseq2 = numbers = cursors = ''
tmp = 0
cnumber = step
mismatch_count = 0
for i in range(len(s1)):
# print i
if ((i + 1) % step == 0):
# print 'i'
numbers += str(cnumber)
tmp = len(str(cnumber)) - 1
# print 'tmp', tmp
cursors += '|'
for x in range(len(str(cnumber)) - 1):
# print '|', str(cnumber)
cursors += ' '
cnumber += step
else:
if (tmp != 0):
tmp -= 1
else:
numbers += ' '
cursors += ' '
if (s1[i] != s2[i]):
color = 'yellow' if mutations[i] == 'nucleotide' else 'red'
nseq1 += pystache.render(
'<span class=\"' + color + '\">{{symbol}}</span>',
{'symbol': s1[i]})
nseq2 += pystache.render(
'<span class=\"' + color + '\">{{symbol}}</span>',
{'symbol': s2[i]})
mismatch_count += 1
else:
nseq1 += s1[i]
nseq2 += s2[i]
return Bunch(nseq1=nseq1,
nseq2=nseq2,
numbers=numbers,
cursors=cursors,
mismatch_count=mismatch_count)
def plot_c():
g = 1.5
N = 2000
n_unique_nets = 9
n_steps = 2000
n_reps = 4
all_corrs = []
for rep in range(n_unique_nets):
b = Bunch(N=N, Z=1, res_init_g=g, bias=False)
net = Reservoir(b)
corrs = []
for j in range(n_reps):
init_x = np.random.normal(0, 1, (1, N))
net.reset(res_state=init_x)
xs = np.zeros(n_steps)
for i in range(n_steps):
out = net()
xs[i] = out[0, 0].item()
corr = np.correlate(xs, xs, 'full')[n_steps:]
corrs.append(corr)
all_corrs.append(corrs)
# use this for getting the mean for each rep
# all_corrs.append(np.mean(corrs, axis=0))
plt.figure(figsize=(15, 8))
for rep in range(n_unique_nets):
ax = plt.subplot(3, 3, rep + 1)
# ax.plot(all_corrs[rep], lw=2)
for j in range(n_reps):
ax.plot(all_corrs[rep][j], lw=2)
ax.grid(True, which='major', lw=1, color='lightgray', alpha=0.4)
ax.tick_params(axis='both', color='white')
ax.spines['top'].set_visible(False)
ax.spines['right'].set_visible(False)
ax.set_ylabel('distance')
ax.set_xlabel('timestep')
plt.suptitle(f'g = {g}')
plt.show()
def calcProtein(s1, s2, step):
nseq1 = nseq2 = numbers = cursors = ''
tmp = 0
cnumber = step
mismatch_count = 0
for i in range(len(s1)):
# print i
if ((i + 1) % step == 0):
# print 'i'
numbers += str(cnumber)
tmp = len(str(cnumber)) - 1
# print 'tmp', tmp
cursors += '|'
for x in range(len(str(cnumber)) - 1):
# print '|', str(cnumber)
cursors += ' '
cnumber += step
else:
if (tmp != 0):
tmp -= 1
else:
numbers += ' '
cursors += ' '
if (s1[i] != s2[i]):
nseq1 += pystache.render('<span class=\"red\">{{symbol}}</span>',
{'symbol': s1[i]})
nseq2 += pystache.render('<span class=\"red\">{{symbol}}</span>',
{'symbol': s2[i]})
mismatch_count += 1
else:
nseq1 += s1[i]
nseq2 += s2[i]
return Bunch(nseq1=nseq1,
nseq2=nseq2,
numbers=numbers,
cursors=cursors,
mismatch_count=mismatch_count)
def getData(self,
cols=None,
where=None,
orderby=None,
getResultsAsBunchObjects=False):
ret = []
if where is None:
where = ""
else:
where = " WHERE " + where
if orderby is None:
orderby = ""
else:
orderby = "ORDER BY " + orderby
if cols is None:
cols = [x.getName() for x in self.getColumns()]
tCols = []
for col in cols:
if col[0].isdigit():
tCols.append("_" + col)
else:
tCols.append(col)
cols = tCols
for row in self.curs.execute(
self.__updateTableName(
"SELECT %s FROM :table: %s %s" %
(",".join([col for col in cols]), where, orderby))):
if getResultsAsBunchObjects:
ret.append(Bunch(_addFollowing=dict(zip(cols, row))))
else:
if len(row) == 1:
ret.append(row[0])
else:
ret.append(row)
return ret
def parse_data(inp):
merged_sequences = dict()
for s in sequences(inp):
seq = s[1].replace('\n', '').replace('\r', '')
matchObj = re.match(r'.*(Vibrio [^\s.]*).*', s[0], re.M | re.I)
specie = matchObj.group(1)
if specie != 'Vibrio sp' and specie != 'Vibrio genomosp':
sequence = merged_sequences.get(
seq,
Bunch(seq=seq,
specie=specie,
merged_count=0,
row_headers=[],
aseq=translate_dna(seq)))
sequence.merged_count += 1
sequence.row_headers.append(s[0])
merged_sequences[seq] = sequence
return merged_sequences
def protein_align(seq1, seq2):
aseq1 = aseq2 = ''
apseq1, apseq2 = align(seq1.aseq[:-1], seq2.aseq[:-1])
mismatch = pos1 = pos2 = 0
mutations = {}
for n in range(len(apseq1)):
triplet_nucl1 = get_triplet(seq1.seq, pos1, apseq1[n])
pos1 += 3 if triplet_nucl1 != '---' else 0
aseq1 += triplet_nucl1
triplet_nucl2 = get_triplet(seq2.seq, pos2, apseq2[n])
pos2 += 3 if triplet_nucl2 != '---' else 0
aseq2 += triplet_nucl2
each_mismatch = 0
for i in range(3):
if (triplet_nucl1[i] != triplet_nucl2[i]):
if (apseq1[n] != apseq2[n]):
mutations[3 * n + i] = 'protein'
else:
mutations[3 * n + i] = 'nucleotide'
each_mismatch += 1 if triplet_nucl1[i] != triplet_nucl2[i] else 0
if apseq1[n] != apseq2[n]:
each_mismatch *= 2
mismatch += each_mismatch
return Bunch(score=mismatch,
mutations=mutations,
aseq1=aseq1,
aseq2=aseq2,
aaseq1=apseq1,
aaseq2=apseq2)
import matplotlib.pyplot as plt
import argparse
import pdb
import os
import sys
sys.path.append('../')
from utils import Bunch, load_rb
from train import Trainer, parse_args, adjust_args
from network import HypothesisNetwork
b = Bunch()
b.dataset = '../datasets/temp.pkl'
b.out_act = 'none'
b.L = 2
b.Z = 2
dset = load_rb(b.dataset)
net = HypothesisNetwork(b)
seq1 = dset[0]
t1 = seq1[0]
t1 = torch.Tensor(t1)
net(t1)
action='store_true',
help='whether to do a quick test')
parser.add_argument('--out', type=str, help='results output file')
args = parser.parse_args(sys.argv[1:])
# log_codes = dict(e=tf.logging.ERROR,
# i=tf.logging.INFO,
# w=tf.logging.WARN,
# d=tf.logging.DEBUG)
if args.out is not None:
exp_path = os.path.join(args.out, exp_path)
exp = Experiment(exp_path)
params = Bunch(yaml.load(open(args.hparams)))
grid = get_param_grid(params)
params.pop('grid')
# tf.logging.set_verbosity(log_codes.get(params.log.lower()[0],
# tf.logging.ERROR))
# if platform.system() == 'Linux':
# tf.compat.v1.disable_eager_execution()
# print(f'******** TF EAGER MODE DISABLED on {platform.system()} *****')
def run_exp(params):
exp.tag(params)
URL = 'mushroom/all.csv'
dataframe = pd.read_csv(URL)
dataframe.head()
def getPeaksFor(self, times, eici, scales=[11, 66], snrTh=0.1, minScans=3, startIndex=None, endIndex=None):
snrTh=3
# precheck
if sum(eici) == 0:
return []
if startIndex is None:
startIndex=0
if endIndex is None:
endIndex=len(eici)
# crop EIC
eici=eici[startIndex:endIndex]
#times=times[startIndex:endIndex]
# add scales at begin and end of eic
eicAdd = int(scales[1]) *2
eic = [0 for u in range(0, eicAdd)]
eic.extend(eici)
eic.extend([0 for u in range(0, eicAdd)])
# create R-vector of EIC
eicRC = str([str(v) for v in eic]).replace('[', '').replace(']', '').replace('\'', '')
# call R-MassSpecWavelet
try:
ret = r('getMajorPeaks(c(' + eicRC + '), c(' + str(scales[0]) + ', ' + str(scales[1]) + '), snrTh=' + str(
snrTh) + ')')
except Exception as e:
ret = []
# Convert results from R-Objects to Python Objects/Arrays
retl = []
if len(ret) > 1:
# Convert linear R-Vector (4 consecutive elements represent one peak) to Python Array
for i in range(0, len(ret), 4):
cur = []
for j in range(0, 4):
cur.append(ret[i + j])
peak=Bunch(peakIndex=int(cur[0]), peakScale=float(cur[1]), peakSNR=float(cur[2]),
peakArea=float(cur[3]), peakLeftFlank=float(cur[1]), peakRightFlank=float(cur[1]))
retl.append(peak)
# detect and remove very close-by peaks
todel = []
for f in range(0, len(retl)):
for s in range(0, len(retl)):
if f < s:
if abs(retl[f].peakIndex - retl[s].peakIndex) < errorIndex:
todel.append(f)
retl[f].peakIndex = retl[f].peakIndex - 1
peakCenter = int(retl[f].peakIndex)
count = 0
for i in range(max(0, int(peakCenter - retl[f].peakScale)), min(len(eic) - 1, int(peakCenter + retl[f].peakScale))):
if eic[i] > 0:
count = count + 1
if count < minScans:
todel.append(f)
# remove very close-by peaks
if len(todel) > 0:
todel = [x for x in set(todel)]
todel.sort()
todel.reverse()
for i in todel:
retl.pop(i)
# calculate peak flanks (left and right side)
for i1 in range(len(retl)):
for i2 in range(len(retl)):
p1 = retl[i1]
p2 = retl[i2]
if p1.peakIndex < p2.peakIndex and (p1.peakIndex + p1.peakScale) > (p2.peakIndex - p2.peakScale):
overlap = (p1.peakIndex + p1.peakScale) - (p2.peakIndex - p2.peakScale)
if p1.peakScale > p2.peakScale:
p1.peakRightFlank = p1.peakRightFlank - overlap
else:
p2.peakLeftFlank = p2.peakLeftFlank - overlap
# remove added ms scans from peak center
# and add startIndex
for f in retl:
f.peakIndex = f.peakIndex - eicAdd + startIndex
return retl
from ops import conv_rnns
from mvnet import MVNet
import scipy.io as sio
from utils import Bunch, get_session_config
import scipy.ndimage as ndimg
sys.path.append(os.path.join('../utils'))
from util import downsample
import binvox_rw
SAMPLE_DIR = os.path.join('data', 'shapenet_sample')
im_dir = os.path.join(SAMPLE_DIR, 'renders')
log_dir = os.path.join('models_lsm_v1/vlsm-release/train')
with open(os.path.join(log_dir, 'args.json'), 'r') as f:
args = json.load(f)
args = Bunch(args)
# Set voxel resolution
voxel_resolution = 32
# Setup TF graph and initialize VLSM model
tf.reset_default_graph()
# Change the ims_per_model to run on different number of views
bs, ims_per_model = 1, 4
ckpt = 'mvnet-100000'
net = MVNet(vmin=-0.5, vmax=0.5, vox_bs=bs,
im_bs=ims_per_model, grid_size=args.nvox,
im_h=args.im_h, im_w=args.im_w,
norm=args.norm, mode="TEST")
import numpy as np
import torch
import matplotlib.pyplot as plt
import pdb
import sys
import random
sys.path.append('../')
from network import Network, Reservoir
from utils import Bunch
b = Bunch(N=20, D=1, res_init_params={'std':1.5}, reservoir_noise=.1, reservoir_burn_steps=200)
net = Network(b)
N = net.args.N
D = net.args.D
corrs = []
all_dists = []
n_steps = 300
n_net_reps = 12
n_reps = 15
activation = lambda y: y
for rep in range(n_net_reps):
net = Network(b)
#! /usr/bin/env python
import brian2 as b2
import numpy as np
import sys, json
from copy import deepcopy
from scipy.stats import beta
from utils import Bunch, xc_score, spike_score, psp_to_current, ablateNeuron
# get parameters from config file
print "loading parameters"
fname = sys.argv[1]
f = open(fname, 'r')
params = Bunch(json.loads(f.read()))
# set up simulation time
duration = params.simulation.duration * b2.second
dt = params.simulation.dt * b2.ms
# make neuron groups
print "building neuron model"
model = '''
dx/dt = (xinf - x + IsynE + IsynI + Iswitch*Iext)/tau: 1 (unless refractory)
dIsynE/dt = -IsynE/tauSynE: 1
dIsynI/dt = -IsynI/tauSynI: 1
xinf: 1
tau: second
tauSynE: second
tauSynI: second
def get_task_args(args):
tarr = args.task_args
targs = Bunch()
if args.t_type.startswith('rsg'):
targs.t_len = get_tval(tarr, 'l', 600, int)
targs.p_len = get_tval(tarr, 'pl', 5, int)
targs.gain = get_tval(tarr, 'gain', 1, float)
targs.max_ready = get_tval(tarr, 'max_ready', 80, int)
if args.intervals is None:
targs.min_t = get_tval(tarr, 'gt', targs.p_len * 4, int)
targs.max_t = get_tval(
tarr, 'lt',
targs.t_len // 2 - targs.p_len * 4 - targs.max_ready, int)
else:
targs.max_t = max(args.intervals)
targs.min_t = min(args.intervals)
elif args.t_type.startswith('csg'):
targs.t_len = get_tval(tarr, 'l', 600, int)
targs.p_len = get_tval(tarr, 'pl', 5, int)
targs.max_cue = get_tval(tarr, 'max_cue', 100, int)
targs.max_set = get_tval(tarr, 'max_set', 300, int)
if args.intervals is None:
targs.min_t = get_tval(tarr, 'gt', targs.p_len * 4, int)
targs.max_t = get_tval(tarr, 'lt',
targs.t_len // 2 - targs.p_len * 4, int)
elif args.t_type == 'delay-copy':
targs.t_len = get_tval(tarr, 'l', 500, int)
targs.dim = get_tval(tarr, 'dim', 2, int)
targs.n_freqs = get_tval(tarr, 'n_freqs', 20, int)
targs.f_range = get_tval(tarr, 'f_range', [10, 40], float, n_vals=2)
targs.amp = get_tval(tarr, 'amp', 1, float)
elif args.t_type == 'flip-flop':
targs.t_len = get_tval(tarr, 'l', 500, int)
targs.dim = get_tval(tarr, 'dim', 3, int)
targs.p_len = get_tval(tarr, 'pl', 5, int)
targs.geop = get_tval(tarr, 'p', .02, float)
elif args.t_type == 'delay-pro' or args.t_type == 'delay-anti':
targs.t_len = get_tval(tarr, 'l', 300, int)
targs.fix_t = get_tval(tarr, 'fix', 50, int)
targs.stim_t = get_tval(tarr, 'stim', 150, int)
elif args.t_type == 'memory-pro' or args.t_type == 'memory-anti':
targs.t_len = get_tval(tarr, 'l', 300, int)
targs.fix_t = get_tval(tarr, 'fix', 50, int)
targs.stim_t = get_tval(tarr, 'stim', 100, int)
targs.memory_t = get_tval(tarr, 'memory', 50, int)
elif args.t_type == 'dur-disc':
targs.t_len = get_tval(tarr, 'l', 600, int)
targs.tau = get_tval(tarr, 'tau', 10, int)
targs.min_d = get_tval(tarr, 'gt', 10, int)
targs.max_d = get_tval(tarr, 'lt', 80, int)
targs.sep_t = get_tval(tarr, 'sep_t', 150, int)
targs.cue_t = get_tval(tarr, 'cue_t', 400, int)
targs.select_t = get_tval(tarr, 'select_t', 440, int)
return targs
from formulaTools import formulaTools
ft = formulaTools()
m = 720.3923 + 0.00055 #702.27351+18.033823+0.00055
formsCRes = sfg.findFormulas(m,
useAtoms=["C", "N", "H", "O"],
atomsRange=[(32, 32), (0, 500), (0, 10000),
(0, 400)],
fixed=["C"],
useSevenGoldenRules=False,
useSecondRule=False,
ppm=5.)
from utils import Bunch, printObjectsAsTable
from formulaTools import formulaTools
fT = formulaTools()
bs = []
for f in formsCRes:
elems = fT.parseFormula(f)
bs.append(
Bunch(formula=f,
mass=fT.calcMolWeight(elems),
diffPPM=(fT.calcMolWeight(elems) - m) * 1000000. / m,
diffPPMAt300=(fT.calcMolWeight(elems) - m) * 1000000. / 300))
printObjectsAsTable(bs,
attrs=["formula", "mass", "diffPPM", "diffPPMAt300"])
import os
'''This script can update packages list in packages.csv
this script accepts one parameter `dst` as destination folder/package
If dst is a package, this script will update this package,
regardless of whether it exists or not.
e.g. `python update_package.py /path/to/CLOVER/kexts/Other/AppleALC.kext`
If dst is a folder, this script will update all the packages in that folder
if list in packages.csv
e.g. `python update_package.py /path/to/Kexts` will update kexts
`python update_package.py /path/to/Clover` will update packages in Clover
'''
fg = terminal.fg
formats = Bunch(checkupdate="({}/{}) {:<46}",
listupdate="[{}] {:<46} {} -> {}")
'''
Get and filter packages
'''
packages = []
with open(Path(path.root, 'packages.csv'), 'r') as f:
keys = f.readline()[:-1].lower().split(',')
packages = [Package(**dict(zip(keys, x[:-1].split(',')))) for x in f]
if path.dsttype == 'file':
for package in packages:
if path.dst.name in package.items:
package.folder = path.dst.parent
packages = [package]
break