Enabled & functioning edrfile reader.
This commit is contained in:
@ -183,6 +183,30 @@ cdef class TPXReader:
|
||||
types += mol_type * nmol
|
||||
return np.array(types)
|
||||
|
||||
@property
|
||||
def nsteps(self):
|
||||
return self.input_record.nsteps
|
||||
|
||||
@property
|
||||
def nstxout(self):
|
||||
return self.input_record.nstxout
|
||||
|
||||
@property
|
||||
def nstvout(self):
|
||||
return self.input_record.nstvout
|
||||
|
||||
@property
|
||||
def nstfout(self):
|
||||
return self.input_record.nstfout
|
||||
|
||||
@property
|
||||
def nstxout_compressed(self):
|
||||
return self.input_record.nstxout_compressed
|
||||
|
||||
@property
|
||||
def nstenergy(self):
|
||||
return self.input_record.nstenergy
|
||||
|
||||
|
||||
def __cinit__(self, filename):
|
||||
filename = cstr(filename)
|
||||
|
Reference in New Issue
Block a user