コード例 #1
0
    def find_lowest(self):
        self.__get_data__()
        min_distance = 0
        min_path = None
        min_mid = None
        candidates = get_molecules.get_mid_list(conn)

        i = 0
        for mid in candidates:
            if mid is 144:
                continue

            if mid in [3,4,94,35,34,49, 38, 37,36, 39, 92]:
                continue
            #if mid in [3, 1, 29, 48, 22, 76, 125, 24, 83, 46, 80, 82, 44]:
            #    continue
            #print mid
            frequencies, intensities = get_peaks.get_frequency_intensity_list(conn, mid)#,
                                                                              #max=self.max_frequency,
                                                                              #min=0)
            #frequencies, intensities = get_peaks.get_frequency_intensity_list(conn, mid)
            distance, path = fastdtw(self.efreqlist, frequencies, dist=euclidean)

            if min_path is None:
                min_path = path
                min_distance = distance
                min_mid = mid
            elif distance < min_distance:
                min_distance = distance
                min_path = path
                min_mid = mid
        print min_distance
        print min_mid
        print get_molecules.getName(conn, min_mid)
コード例 #2
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    def __get_data__(self):

        # Get Experiment Frequencies
        self.efreqlist, self.eintelist = \
            get_peaks.get_frequency_intensity_list(conn, self.mid)

        # Get MAX and MIN
        self.max_frequency = get_peaks.get_max_frequency(conn, self.mid)
        self.min_frequency = get_peaks.get_min_frequency(conn, self.mid)
        # Get Candidates
       #self.candidates = get_molecules.get_mid_list(conn)
        self.get_candidates()

        print "Candidates: "
        print self.candidates
        print "\n"
コード例 #3
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    def __get_data__(self):
        # Get Experiment Frequencies
        self.efreqlist, self.eintelist = \
            get_peaks.get_frequency_intensity_list(conn, self.mid)

        # Get MAX and MIN
        self.max_frequency = get_peaks.get_max_frequency(conn, self.mid)
        self.min_frequency = get_peaks.get_min_frequency(conn, self.mid)

        # Get Candidates
        self.candidates = get_molecules.get_mid_list(conn)
        #self.get_candidates()

        print "Candidates: "
        print self.candidates
        print "\n"
コード例 #4
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    def find_lowest(self):
        self.__get_data__()
        min_distance = 0
        min_path = None
        min_mid = None
        candidates = get_molecules.get_mid_list(conn)

        i = 0
        for mid in candidates:
            if mid is 144:
                continue

            if mid in [3, 4, 94, 35, 34, 49, 38, 37, 36, 39, 92]:
                continue
            #if mid in [3, 1, 29, 48, 22, 76, 125, 24, 83, 46, 80, 82, 44]:
            #    continue
            #print mid
            frequencies, intensities = get_peaks.get_frequency_intensity_list(
                conn, mid)  #,
            #max=self.max_frequency,
            #min=0)
            #frequencies, intensities = get_peaks.get_frequency_intensity_list(conn, mid)
            distance, path = fastdtw(self.efreqlist,
                                     frequencies,
                                     dist=euclidean)

            if min_path is None:
                min_path = path
                min_distance = distance
                min_mid = mid
            elif distance < min_distance:
                min_distance = distance
                min_path = path
                min_mid = mid
        print min_distance
        print min_mid
        print get_molecules.getName(conn, min_mid)
コード例 #5
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    def find_lowest(self):
        """
        :return: mid, distance, path
        """
        min_distance = 0
        min_path = None
        min_mid = None
        candidates = self.candidates  #get_molecules.get_mid_list(conn)

        i = 0
        for mid in candidates:

            frequencies, intensities = get_peaks.get_frequency_intensity_list(
                conn, mid, max=self.max_frequency, min=0)  # ,

            try:
                distance, path = fastdtw(self.efreqlist,
                                         frequencies,
                                         dist=euclidean)
            except IndexError:
                continue

            if min_path is None:
                min_path = path
                min_distance = distance
                min_mid = mid
            elif distance < min_distance:
                min_distance = distance
                min_path = path
                min_mid = mid

        print min_distance
        print min_mid
        print get_molecules.getName(conn, min_mid)

        return min_mid, min_distance, min_path
コード例 #6
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    def find_lowest(self):
        """
        :return: mid, distance, path
        """
        min_distance = 0
        min_path = None
        min_mid = None
        candidates = self.candidates #get_molecules.get_mid_list(conn)

        i = 0
        for mid in candidates:

            frequencies, intensities = get_peaks.get_frequency_intensity_list(conn,
                                                                              mid,
                                                                              max=self.max_frequency,
                                                                              min=0)  # ,

            try:
                distance, path = fastdtw(self.efreqlist, frequencies, dist=euclidean)
            except IndexError:
                continue

            if min_path is None:
                min_path = path
                min_distance = distance
                min_mid = mid
            elif distance < min_distance:
                min_distance = distance
                min_path = path
                min_mid = mid

        print min_distance
        print min_mid
        print get_molecules.getName(conn, min_mid)

        return min_mid, min_distance, min_path
コード例 #7
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    'blue',
    'yellow',
    '#ff6500',
    'cyan',
    'magenta',
    '#008B8B',
    '#8B0000',
    '#FA8072',
    '#FF69B4',
    '#BDB76B',
    '#663399',
    '#7cfc00',
]
color_index = 0

experiment_peaks, experiment_intensities = get_peaks.get_frequency_intensity_list(
    conn, experiment_mid)
# Determine Axes
# Axes are determined my maximum values of experiment freq/inte values
x_axis = get_peaks.get_max_frequency(conn, experiment_mid)
y_axis = get_peaks.get_max_intensity(conn, experiment_mid)

f, axarr = plt.subplots(2, sharex=True)  # Create subplot
#plt.axis(x_axis,y_axis)
#plt.axis([0, x_axis,0, y_axis])  # set axis
plt.xlabel("Frequency")
plt.ylabel("Intensity")

# Plot experiment
axarr[0].set_title('Experiment Peaks')
axarr[0].bar(experiment_peaks, experiment_intensities, edgecolor='black')
コード例 #8
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# jasmine Oliveira
# Date: 09/20/2016
import matplotlib.pyplot as plot
from temp.get import get_peaks

from config import conn

print "Enter first __setup_graph MID:"
mid1 = raw_input()

print "Enter second __setup_graph MID:"
mid2 = raw_input()

print "Graphing..."

freq1, inte1 = get_peaks.get_frequency_intensity_list(conn, mid1)
freq2, inte2 = get_peaks.get_frequency_intensity_list(conn, mid2)

subplot2 = plot.subplot(212)
subplot1 = plot.subplot(211, sharex=subplot2)

subplot1.bar(freq1, inte1)
subplot2.bar(freq2, inte2)

# Set Labels
rects = subplot2.patches
labels = ["%d" % i for i in xrange(len(rects))]

for rect, label in zip(rects, labels):
    height = rect.get_height()
    subplot2.text(rect.get_x() + rect.get_width() / 2,
コード例 #9
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# Store new assignments in database
remove_assignments.remove_all(conn, experiment_mid)   # Remove all existing assignments
for key, value in experiment.molecule_matches.iteritems():
      for match in value.matches:
            entry_assignments.add_assignment(conn, match.exp_pid, experiment_mid, match.mid, match.pid)     # add new assigments

# Graph Results
#assigned_mids = experiment.get_assigned_mids()  # GET ASSIGNED MIDS
#for assigned_mid in assigned_mids:
#    graph_peaks.graph_experiment_and_assignment(conn, experiment_mid, assigned_mid, subplot=True, show_exp_peaks=False,show_assigned_lines=True)
lower_limit = 0.2
colors = ['green', 'blue', 'yellow', '#ff6500', 'cyan', 'magenta', '#008B8B', '#8B0000','#FA8072', '#FF69B4','#BDB76B', '#663399','#7cfc00',  ]
color_index = 0

experiment_peaks, experiment_intensities = get_peaks.get_frequency_intensity_list(conn, experiment_mid)
# Determine Axes
# Axes are determined my maximum values of experiment freq/inte values
x_axis = get_peaks.get_max_frequency(conn, experiment_mid)
y_axis = get_peaks.get_max_intensity(conn, experiment_mid)

f, axarr = plt.subplots(2, sharex=True) # Create subplot
#plt.axis(x_axis,y_axis)
#plt.axis([0, x_axis,0, y_axis])  # set axis
plt.xlabel("Frequency")
plt.ylabel("Intensity")

# Plot experiment
axarr[0].set_title('Experiment Peaks')
axarr[0].bar(experiment_peaks, experiment_intensities, edgecolor='black')
コード例 #10
0
ファイル: graph_two.py プロジェクト: jnicoleoliveira/SPECData
# jasmine Oliveira
# Date: 09/20/2016
import matplotlib.pyplot as plot
from temp.get import get_peaks

from config import conn

print "Enter first __setup_graph MID:"
mid1 = raw_input()

print "Enter second __setup_graph MID:"
mid2 = raw_input()

print "Graphing..."

freq1, inte1 = get_peaks.get_frequency_intensity_list(conn, mid1)
freq2, inte2 = get_peaks.get_frequency_intensity_list(conn, mid2)

subplot2 = plot.subplot(212)
subplot1 = plot.subplot(211,  sharex=subplot2)


subplot1.bar(freq1, inte1)
subplot2.bar(freq2, inte2)

# Set Labels
rects = subplot2.patches
labels = ["%d" % i for i in xrange(len(rects))]

for rect, label in zip(rects, labels):
    height = rect.get_height()
コード例 #11
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from temp.get import get_peaks

from config import conn

# Get data from file
frequencies = []
intensities = []
with open("/home/joli/PycharmProjects/SPECData/data/experiments/145.sp") as f:
    for line in f:
        point = str.split((line.strip()))
        frequencies.append(float(point[0]))  # get frequency
        intensities.append(float(point[1]))  # get actual intensity (logx ^ x)
print "Got Experiment Data: " + str(len(frequencies))
# Determine Peaks
#frequencies, intensities = peak_finder.peak_finder(frequencies, intensities, 0.2)
frequencies, intensities = get_peaks.get_frequency_intensity_list(conn, 145)

print "     .....determined peaks."

all = get_peaks.get_all_known_frequencies(conn)
mids, all = get_peaks.get_all_known_freqencies_with_mids(conn)

print "Got Known Data: " + str(len(all))



#x = np.array([0, 0, 1, 1, 2, 4, 2, 1, 2, 0]).reshape(-1, 1)
#y = np.array([1, 1, 1, 2, 2, 2, 2, 3, 2, 0]).reshape(-1, 1)
#x = frequencies
#y = all
x = np.array(frequencies)
コード例 #12
0
from temp.get import get_peaks

from config import conn

# Get data from file
frequencies = []
intensities = []
with open("/home/joli/PycharmProjects/SPECData/data/experiments/145.sp") as f:
    for line in f:
        point = str.split((line.strip()))
        frequencies.append(float(point[0]))  # get frequency
        intensities.append(float(point[1]))  # get actual intensity (logx ^ x)
print "Got Experiment Data: " + str(len(frequencies))
# Determine Peaks
#frequencies, intensities = peak_finder.peak_finder(frequencies, intensities, 0.2)
frequencies, intensities = get_peaks.get_frequency_intensity_list(conn, 145)

print "     .....determined peaks."

all = get_peaks.get_all_known_frequencies(conn)
mids, all = get_peaks.get_all_known_freqencies_with_mids(conn)

print "Got Known Data: " + str(len(all))

#x = np.array([0, 0, 1, 1, 2, 4, 2, 1, 2, 0]).reshape(-1, 1)
#y = np.array([1, 1, 1, 2, 2, 2, 2, 3, 2, 0]).reshape(-1, 1)
#x = frequencies
#y = all
x = np.array(frequencies)
y = np.array(all)