Exemplo n.º 1
0
    def check_CAchirality(self, coords):
        """ 
        Sanity check on the CA to check if it is L of D    
        
        Returns False if the check fails i.e. if any D-amino acid is present          
        
        """
        
        # print 'in check CA chirality'
        import measure  
        m = measure.Measure() 
        
        isL = True 
        
        for i in self.CAneighborList:                            
            atNum = i[0] 
            rCA   = np.array( [ coords[3*atNum] , coords[3*atNum+1] , coords[3*atNum+2] ])                       
            atNum = i[1] 
            rC    = np.array( [ coords[3*atNum] , coords[3*atNum+1] , coords[3*atNum+2] ])                       
            atNum = i[2] 
            rCB   = np.array( [ coords[3*atNum] , coords[3*atNum+1] , coords[3*atNum+2] ])                       
            atNum = i[3] 
            rN    = np.array( [ coords[3*atNum] , coords[3*atNum+1] , coords[3*atNum+2] ])
            
            # compute improper torsion angle between C-CA-CB and CA-CB-N 
            rad, deg = m.torsion(rC,rCA,rCB,rN)                        
            
            # check cis 
            if deg < 180 :
                # this condition was found by inspection of structures todo   
                isL = False  
                print 'chiral state of CA atom ', i[0], ' is D' 
                print 'CA improper torsion (deg) ', i, ' = ', deg 

        return isL  
Exemplo n.º 2
0
 def check_cistrans(self, coords):
     """ 
     Sanity check on the isomer state of peptide bonds   
     
     Returns False if the check fails i.e. if any of the peptide bond is CIS         
     
     """
     
     import measure  
     m = measure.Measure() 
     
     isTrans = True 
     
     for i in self.peptideBondAtoms:                            
         atNum = i[0] 
         rC    = np.array( [ coords[3*atNum] , coords[3*atNum+1] , coords[3*atNum+2] ])                       
         atNum = i[1] 
         rO    = np.array( [ coords[3*atNum] , coords[3*atNum+1] , coords[3*atNum+2] ])                       
         atNum = i[2] 
         rN    = np.array( [ coords[3*atNum] , coords[3*atNum+1] , coords[3*atNum+2] ])                       
         atNum = i[3] 
         rH    = np.array( [ coords[3*atNum] , coords[3*atNum+1] , coords[3*atNum+2] ])
         
         # compute O-C-N-H torsion angle 
         rad, deg = m.torsion(rO,rC,rN,rH)
                     
         # print 'peptide torsion (deg) ', i, ' = ', deg 
         # check cis 
         if deg < 90 or deg > 270: 
             isTrans = False  
             print 'CIS peptide bond between atoms ', i, ' torsion (deg) = ', deg 
             
     return isTrans  
Exemplo n.º 3
0
    def __init__(self, top):
        '''
        top = OpenMM topology 
         
        '''
        print 'in sanity check init'
        self.topology = top

        import measure
        self.measure = measure.Measure()

        self.populate_CAneighborList()
        self.populate_peptideAtomList()
Exemplo n.º 4
0
 def test(self):
     i = 0
     self.meas = measure.Measure(self.names)
     for s in self.tst:
         c, r = self.class_sample(s)
         self.meas.update_res(r, self.s_lab[i])
         if c == self.s_lab[i]:
             cls = True
         else:
             cls = False
         self.meas.update_count(cls, self.s_lab[i])
         i += 1
     return self.meas
Exemplo n.º 5
0
 def __init__(self, samps = None,
              bounds = None,
              volume = None,
              measure = None,
              is_eq = True,
              bandlims = None):
     
     #TODO: remove this member
     self.is_eq = is_eq
     
     if samps is None:
     
         self.samps = gd.Grid()
         self.bounds = gd.Grid()
     
     else:
     
         self.samps = samps
         self.bounds = bounds
     
     self.ns = self.samps.get_curr_cards()
     
     if volume is None:
         
         self.volume = vol.Volume()
     
     else:
         
         self.volume = volume
     
     if measure is None:
         
         self.measure = ms.Measure()
     
     else:
     
         self.measure = measure
          
     
     if bandlims is None:
         
         bounds = deep(self.bounds)
         
         self.bandlims = deep(bounds.get_lims() )
         
     else:
         
         self.bandlims = deep(bandlims)
         
     return
def abc(measure1, measure_length, tied_notes, previous_measure):

    voices = list(voices_generator(measure1, measure_length,
                                   tied_notes))  # enthält 4 stimmen

    measure_object = measure.Measure(previous_measure)

    measure_object.add(voices)

    measure_object.arrange_voices_for_ties()

    measure_object.merge_voices_to_chords()

    measure_object.set_rests_invisible()

    return measure_object
Exemplo n.º 7
0
 def __init__(self, interval):
     self.interval = interval
     self.lock = threading.Lock()
     self.config_obj = config.Config()
     self.measure_obj = measure.Measure()
Exemplo n.º 8
0
    def new_sample(self, samples):
        self.timer += 1
        if self.timer > 10000:
            self.stop()

    def stop(self):
        self.end = time.time()
        self.running = False

    def run(self):
        print "starting"
        self.start = time.time()
        self.sub.subscribe_on_samples(self.new_sample)
        while self.running:
            time.sleep(1)
        print "end, took", self.end - self.start


print "Starting"
timer = Timer()
m = measure.Measure()
thread = threading.Thread(name="receive_thread",
                          target=m.start_measurement,
                          args=(1, ))
thread.daemon = True
thread.start()
timer.run()

print "complete"
Exemplo n.º 9
0
def factory(bandlims, ns, shf = [0.0], gdtype = 'cartes'):
    
    res = None
    
    if 'cartes' == gdtype: 

        ct = ns[0]

        lim_t = ct * 4 - 1
        
        lbpar_t = cd.LbFixParams( [ct], [lim_t] )

        shf_t = shf[0]
        
        T = bandlims[0][1]
        
        dt = T / ct
        
        diff = [dt]
        shf = [shf_t]
        band = [T]
        
        ptpar = cd.PtFixParams(diff, shf, band)
        
        lb_t = cd.LbGen(lbpar_t)
        
        pt_t = cd.PtGen(ptpar)
        
        dim_lb = (0, 0)
        
        obj_lb = [lb_t]
        dims_lb = [dim_lb]
        
        mst_lb = mst.MdimStruct(obj_lb, dims_lb) 
        
        dims_pt = [ (0, 0) ]
        obj_pt = [pt_t]
        
        mst_pt = mst.MdimStruct(obj_pt, dims_pt)
        
        gen = gn.Generator(mst_lb, mst_pt)
        
        samps = gd.Grid(gen)
        
        shf = [0.0]
        
        ptpar = cd.PtFixParams(diff, shf, band)

        pt_t = cd.PtGen(ptpar)
        
        dims_pt = [ (0, 0) ]
        obj_pt = [pt_t]
        
        mst_pt = mst.MdimStruct(obj_pt, dims_pt)
        
        gen = gn.Generator(mst_lb, mst_pt)
        
        bounds = gd.Grid(gen)
                    
        bandstr = mst.MdimStruct( [ [0, T] ], [ (0,0) ] )
        
        res = Domain(samps, bounds, None, None, True, bandstr)
        
    elif 'polar' == gdtype:
        
        R = bandlims[0][1]
        A = bandlims[1][1]
        
        cr = int( ns[0] )
        ca = int( ns[1] )
        
        lim_r = cr * 4 - 1
        lim_a = ca * 2 - 1
        
        lbpar_r = pl.LbFixParams( [cr], [lim_r] )
        lbpar_a = pl.LbFixParams( [ca], [lim_a] )
        
        shf_r = shf[0]
        shf_a = shf[1]
        
        dr = R / cr
        da = A / ca
        
        diff = [dr, da]
        shf = [shf_r, shf_a]
        band = [R, A]
        
        ptpar = pl.PtFixParams(diff, shf, band)
        
        pol_lb_r = pl.PolarLbGen(lbpar_r)
        pol_lb_a = pl.PolarLbGen(lbpar_a)
        
        pol_pt = pl.PolarPtGen(ptpar)
        
        dim_lb_r = (0, 0)
        dim_lb_a = (1, 1)
        
        obj_lb = [pol_lb_r, pol_lb_a]
        dims_lb = [dim_lb_r, dim_lb_a]
        
        mst_lb = mst.MdimStruct(obj_lb, dims_lb) 
        
        dims_pt = [ (0, 1) ]
        obj_pt = [pol_pt]
        
        mst_pt = mst.MdimStruct(obj_pt, dims_pt)
        
        gen = gn.Generator(mst_lb, mst_pt)
        
        samps = gd.Grid(gen)
        
        shf_r = 0.0
        shf_a = 0.0
        
        ptpar = pl.PtFixParams(diff, shf, band)
        
        pol_pt = pl.PolarPtGen(ptpar)
        
        dims_pt = [ (0, 1) ]
        obj_pt = [pol_pt]
        
        mst_pt = mst.MdimStruct(obj_pt, dims_pt)
        
        gen = gn.Generator(mst_lb, mst_pt)
        
        bounds = gd.Grid(gen)

        volume = vol.Volume( mst.MdimStruct( [vol.sector], [ (0,1) ] ) )
        
        meas = ms.Measure( mst.MdimStruct( [ms.sector], [ (0,1) ] ) )
        
        bandstr = mst.MdimStruct( [ [0, R], [0, A] ], [ (0,0), (1,1) ] )
        
        res = Domain(samps, bounds, volume, meas, True, bandstr)
        
    else:
       
        pass 
    
    return res
Exemplo n.º 10
0
def main():
    rospy.init_node('hcr_state_node')

    sm_hcr = smach.StateMachine(outcomes=['succeeded', 'aborted', 'preempted'])
    """
    Initialize userdata
    """
    # target and current positions
    pose_init = geometry_msgs.msg.PoseStamped()
    pose_init.pose.position.x = 0
    pose_init.pose.position.y = 0
    pose_init.pose.position.z = 0
    pose_init.pose.orientation.x = 0
    pose_init.pose.orientation.y = 0
    pose_init.pose.orientation.z = 0
    pose_init.pose.orientation.w = 1

    sm_hcr.userdata.pose_base_cur = geometry_msgs.msg.PoseStamped()
    sm_hcr.userdata.pose_base_tar = geometry_msgs.msg.PoseStamped()
    sm_hcr.userdata.pose_object_cur = geometry_msgs.msg.PoseStamped()
    sm_hcr.userdata.pose_object_tar = geometry_msgs.msg.PoseStamped()

    sm_hcr.userdata.pose_base_cur = pose_init
    sm_hcr.userdata.pose_base_cur.header.frame_id = "map"
    sm_hcr.userdata.pose_base_tar = pose_init
    sm_hcr.userdata.pose_base_tar.header.frame_id = "map"

    sm_hcr.userdata.pose_object_cur = pose_init
    sm_hcr.userdata.pose_object_tar = pose_init

    # Flags (flg)
    sm_hcr.userdata.flg_move_detect_done = False
    sm_hcr.userdata.flg_move_search_done = False
    sm_hcr.userdata.flg_object_grasp_done = False
    sm_hcr.userdata.flg_object_place_done = False

    sm_hcr.userdata.flg_move_new_goal = False

    # List of detected frames (type class Frame) for each run
    sm_hcr.userdata.list_detected_frames_tmp = []
    sm_hcr.userdata.list_detected_frames_1 = []
    sm_hcr.userdata.list_detected_frames_2 = []
    sm_hcr.userdata.list_detected_frames_3 = []
    """
    Initialize subscribers
    """
    def _move_base_goal_cb(pose):
        sm_hcr.userdata.pose_base_tar = pose
        sm_hcr.userdata.flg_move_new_goal = True

    rospy.Subscriber('/move_base_simple/goal', geometry_msgs.msg.PoseStamped,
                     _move_base_goal_cb)
    """
    Initialize thread
    """

    def thread_tf_target_object_pose():
        while 1:
            br = tf2_ros.TransformBroadcaster()
            t = geometry_msgs.msg.TransformStamped()

            t.header.stamp = rospy.Time.now()
            t.header.frame_id = sm_hcr.userdata.pose_object_tar.header.frame_id
            t.child_frame_id = "target_object"
            t.transform.translation = sm_hcr.userdata.pose_object_tar.pose.position
            t.transform.rotation = sm_hcr.userdata.pose_object_tar.pose.orientation

            try:
                br.sendTransform(t)

            except (tf.LookupException, tf.ConnectivityException,
                    tf.ExtrapolationException):
                rospy.loginfo(
                    "ERROR: thread_tf_target_object_pose: tf-exeption")

    with sm_hcr:
        ### LOGIC ###
        smach.StateMachine.add('LOGIC',
                               logic.Logic(),
                               transitions={
                                   'aborted': 'aborted',
                                   'reset': 'RESET',
                                   'move_detect': 'MOVE_DETECT',
                                   'move_search': 'MOVE_SEARCH',
                                   'object_grasp': 'OBJECT_GRASP',
                                   'object_place': 'OBJECT_PLACE'
                               },
                               remapping={
                                   'flg_reset': 'flg_reset',
                                   'flg_score': 'flg_score',
                                   'flg_move_detect_done':
                                   'flg_move_detect_done',
                                   'flg_move_search_done':
                                   'flg_move_search_done',
                                   'flg_object_grasp_done':
                                   'flg_object_grasp_done',
                                   'flg_object_place_done':
                                   'flg_object_place_done'
                               })

        ### RESET ###
        smach.StateMachine.add('RESET',
                               logic.Reset(),
                               transitions={'succeeded': 'LOGIC'},
                               remapping={
                                   'flg_move_detect_done':
                                   'flg_move_detect_done',
                                   'flg_move_search_done':
                                   'flg_move_search_done',
                                   'flg_move_new_goal':
                                   'flg_move_new_goal',
                                   'flg_object_grasp_done':
                                   'flg_object_grasp_done',
                                   'flg_object_place_done':
                                   'flg_object_place_done',
                                   'pose_base_tar':
                                   'pose_base_tar',
                                   'list_detected_frames_tmp':
                                   'list_detected_frames_tmp',
                                   'list_detected_frames_1':
                                   'list_detected_frames_1',
                                   'list_detected_frames_2':
                                   'list_detected_frames_2',
                                   'list_detected_frames_3':
                                   'list_detected_frames_3'
                               })

        ### SCORE ###
        smach.StateMachine.add('SCORE',
                               logic.Score(),
                               transitions={
                                   'succeeded': 'LOGIC',
                                   'aborted': 'RESET'
                               },
                               remapping={
                                   'list_detected_frames_1':
                                   'list_detected_frames_1',
                                   'list_detected_frames_2':
                                   'list_detected_frames_2',
                                   'list_detected_frames_3':
                                   'list_detected_frames_3'
                               })

        ### MOVE_DETECT ###
        sm_MoveDetect = smach.StateMachine(
            outcomes=['succeeded', 'aborted'],
            input_keys=['pose_base_cur', 'list_detected_frames_tmp'],
            output_keys=[
                'pose_base_cur', 'list_detected_frames_tmp',
                'list_detected_frames_1', 'flg_move_detect_done'
            ])

        # sub Detect
        smach.StateMachine.add('MOVE_DETECT', sm_MoveDetect, {
            'succeeded': 'SCORE',
            'aborted': 'RESET'
        })
        with sm_MoveDetect:
            smach.StateMachine.add('DETECT',
                                   measure.Detect(),
                                   transitions={'succeeded': 'STOP'})

            smach.StateMachine.add(
                'STOP',
                move.Stop(),
                transitions={'succeeded': 'MEASURE'},
                remapping={'pose_base_cur': 'pose_base_cur'})

            smach.StateMachine.add(
                'MEASURE',
                measure.Measure(),
                transitions={'succeeded': 'MOVE_DETECT_EXIT'},
                remapping={
                    'pose_base_cur': 'pose_base_cur',
                    'list_detected_frames_tmp': 'list_detected_frames_tmp'
                })

            smach.StateMachine.add('MOVE_DETECT_EXIT',
                                   logic.MoveDetectExit(),
                                   transitions={'succeeded': 'succeeded'},
                                   remapping={
                                       'list_detected_frames_tmp':
                                       'list_detected_frames_tmp',
                                       'list_detected_frames_1':
                                       'list_detected_frames_1',
                                       'flg_move_detect_done':
                                       'flg_move_detect_done'
                                   })

        ### MOVE_SEARCH ###
        sm_MoveSearch = smach.StateMachine(
            outcomes=['succeeded', 'aborted'],
            input_keys=[
                'pose_base_tar', 'pose_base_cur', 'pose_object_tar',
                'list_detected_frames_tmp'
            ],
            output_keys=[
                'pose_base_tar', 'pose_base_cur', 'list_detected_frames_tmp',
                'list_detected_frames_2', 'flg_move_search_done'
            ])

        smach.StateMachine.add('MOVE_SEARCH', sm_MoveSearch, {
            'succeeded': 'SCORE',
            'aborted': 'RESET'
        })

        with sm_MoveSearch:
            smach.StateMachine.add(
                'BASEPOSE_FINDER',
                logic.BasePoseFinder(),
                transitions={'succeeded': 'MOVE'},
                # transitions={'succeeded':'MEASURE'},
                remapping={
                    'pose_object_tar': 'pose_object_tar',
                    'pose_base_tar': 'pose_base_tar'
                })

            smach.StateMachine.add('MOVE',
                                   move.Move(),
                                   transitions={'succeeded': 'MEASURE'},
                                   remapping={
                                       'pose_base_tar': 'pose_base_tar',
                                       'pose_base_cur': 'pose_base_cur'
                                   })

            smach.StateMachine.add(
                'MEASURE',
                measure.Measure(),
                transitions={'succeeded': 'MOVE_SEARCH_EXIT'},
                remapping={
                    'pose_base_cur': 'pose_base_cur',
                    'list_detected_frames_tmp': 'list_detected_frames_tmp'
                })

            smach.StateMachine.add('MOVE_SEARCH_EXIT',
                                   logic.MoveSearchExit(),
                                   transitions={'succeeded': 'succeeded'},
                                   remapping={
                                       'list_detected_frames_tmp':
                                       'list_detected_frames_tmp',
                                       'list_detected_frames_2':
                                       'list_detected_frames_2',
                                       'flg_move_search_done':
                                       'flg_move_search_done'
                                   })

        ### OBJECT_GRASP ###
        sm_ObjectGrasp = smach.StateMachine(
            outcomes=['succeeded', 'aborted'],
            input_keys=['flg_object_grasp_done', 'pose_object_tar'],
            output_keys=['flg_object_grasp_done'])

        smach.StateMachine.add('OBJECT_GRASP', sm_ObjectGrasp, {
            'succeeded': 'LOGIC',
            'aborted': 'RESET'
        })

        with sm_ObjectGrasp:
            smach.StateMachine.add(
                'PICK',
                grasp.Pick(),
                transitions={'succeeded': 'OBJECT_GRASP_EXIT'},
                remapping={'pose_object_tar': 'pose_object_tar'})

            smach.StateMachine.add(
                'OBJECT_GRASP_EXIT',
                logic.ObjectGraspExit(),
                transitions={'succeeded': 'succeeded'},
                remapping={'flg_object_grasp_done': 'flg_object_grasp_done'})

        ### OBJECT_PLACE ###
        sm_ObjectPlace = smach.StateMachine(
            outcomes=['succeeded', 'aborted'],
            input_keys=[
                'pose_base_cur', 'pose_base_tar', 'flg_object_place_done'
            ],
            output_keys=['pose_base_cur', 'flg_object_place_done'])

        smach.StateMachine.add('OBJECT_PLACE', sm_ObjectPlace, {
            'succeeded': 'LOGIC',
            'aborted': 'RESET'
        })

        with sm_ObjectPlace:
            smach.StateMachine.add('MOVE',
                                   move.Move(),
                                   transitions={'succeeded': 'PLACE'},
                                   remapping={
                                       'pose_base_tar': 'pose_base_tar',
                                       'pose_base_cur': 'pose_base_cur'
                                   })

            smach.StateMachine.add(
                'PLACE',
                grasp.Place(),
                transitions={'succeeded': 'OBJECT_PLACE_EXIT'})

            smach.StateMachine.add(
                'OBJECT_PLACE_EXIT',
                logic.ObjectPlaceExit(),
                transitions={'succeeded': 'succeeded'},
                remapping={'flg_object_place_done': 'flg_object_place_done'})

    # # attach a SMACH introspection server
    sis = smach_ros.IntrospectionServer('hcr_state_machine', sm_hcr,
                                        '/HCR_State_Machine')
    sis.start()

    # set preempt handler
    smach_ros.set_preempt_handler(sm_hcr)

    # Execute SMACH tree in a separate thread so that we can ctrl-c the script
    thread_tf_tarBasePose = threading.Thread(
        target=thread_tf_target_object_pose)
    thread_tf_tarBasePose.start()

    thread_smach = threading.Thread(target=sm_hcr.execute)
    thread_smach.start()

    # signal handler
    rospy.spin()