def abinitio_cmd(stack_file, output):
"""\b
############################
Abinitio
############################
Abinitio accepts a stack file, calculates Abinitio algorithm on it and saves
the results into output file (default adds '_abinitio' to stack name)
"""
if output is None:
output = set_output_name(stack_file, 'abinitio')
if os.path.exists(output):
logger.error(f"file {yellow(output)} already exsits! remove first "
"or use another name with '-o NAME'")
return
stack = load_stack_from_file(stack_file)
logger.info(f'running abinitio on stack file {stack_file}..')
output_stack = Abinitio.cryo_abinitio_c1_worker(stack)
with mrcfile.new(output) as mrc_fh:
mrc_fh.set_data(output_stack.astype('float32'))
logger.info(f"saved to {yellow(output)}.")
def normalize_cmd(stack_file, output=None):
""" \b
############################
Normalize Stack
############################
Normalize stack of projections.
\b
Example:
$ python aspire.py normalize projections.mrc
will produce file projections_normalized.mrc
"""
if output is None:
output = set_output_name(stack_file, 'normalized')
if os.path.exists(output):
logger.error(f"output file {yellow(output)} already exsits! "
f"remove first or use another name with '-o NAME' flag")
return
logger.info("normalizing projections..")
stack = load_stack_from_file(stack_file, c_contiguous=True)
normalized_stack = PreProcessor.normalize_background(stack.astype('float64'))
with mrcfile.new(output) as fh:
fh.set_data(normalized_stack.astype('float32'))
logger.info(f"saved to {yellow(output)}.")
def star_phaseflip_cmd(stack_file, output=None):
""" \b
############################
Prewhitten Stack
############################
Prewhitten projections in stack file.
\b
Example:
$ python aspire.py prewhitten projections.mrc
will produce file projections_prewhitten.mrc
"""
if output is None:
output = set_output_name(stack_file, 'prewhitten')
if os.path.exists(output):
logger.error(f"output file {yellow(output)} already exsits! "
f"remove first or use another name with '-o NAME' flag")
return
logger.info("prewhittening projections..")
PreProcessor.prewhiten_stack_file(stack_file, output=output)
logger.info(f"saved to {yellow(output)}.")
def downsample_stack_file(cls,
stack_file,
side,
output_stack_file=None,
mask_file=None):
if output_stack_file is None:
output_stack_file = set_output_name(stack_file, 'downsampled')
if os.path.exists(output_stack_file):
raise FileExistsError(
f"output file '{yellow(output_stack_file)}' already exists!")
if mask_file:
if not os.path.exists(mask_file):
logger.error(f"mask file {yellow(mask_file)} doesn't exist!")
mask = load_stack_from_file(mask_file)
else:
mask = None
stack = load_stack_from_file(stack_file)
downsampled_stack = cls.downsample(stack,
side,
compute_fx=False,
stack=True,
mask=mask)
logger.info(
f"downsampled stack from size {stack.shape} to {downsampled_stack.shape}."
f" saving to {yellow(output_stack_file)}..")
with mrcfile.new(output_stack_file) as mrc_fh:
mrc_fh.set_data(downsampled_stack)
logger.debug(f"saved to {output_stack_file}")
def chained_save_stack(ctx_obj, o):
""" Save MRC stack to output file """
if os.path.exists(o): # TODO move this check before anything starts running
logger.error("output file {} already exists! "
"please rename/delete or use flag -o with different output name")
sys.exit(1)
logger.info("saving stack {}..".format(o))
mrcfile.new(o, ctx_obj.stack)
def decorator(func):
missing_binaries = set()
for fn in filenames:
if not is_resource(aspire.data, f'{fn}'):
missing_binaries.add(fn)
if missing_binaries:
for fn in missing_binaries:
logger.error(f"Binary file {yellow(fn)} is required!")
@functools.wraps(func)
def wrapper(*args, **kwargs):
return func(*args, **kwargs)
return wrapper
def decorator(func):
missing_binaries = set()
for fn in filenames:
if not os.path.exists(f'./binaries/{fn}'):
missing_binaries.add(fn)
if missing_binaries:
for fn in missing_binaries:
logger.error(f"Binary file {yellow(fn)} is required!")
logger.error(f"Please run \'{yellow('make data')}\' and try again.")
sys.exit(1)
@functools.wraps(func)
def wrapper(*args, **kwargs):
return func(*args, **kwargs)
return wrapper
def classify_cmd(stack_file, output, avg_nn, classification_nn):
""" \b
############################
Classification-Averaging
############################
This command accepts a stack file and calculates the
classification averaging algorithm.
\b
When it's done, it saves 2 files:
1) The full classified stack
2) A subset of the classified stack (for faster calculations)
\b
Example:
input - stack.mrc
output1 - stack_classified.mrc (or use flag -o to override)
output2 - stack_classified_subset.mrc
"""
if output is None:
output = set_output_name(stack_file, 'classified')
if os.path.exists(output):
logger.error(f"output file {yellow(output)} already exsits! "
f"remove first or use another name with '-o NAME' flag")
return
subset_output_name = set_output_name(output, 'subset')
if os.path.exists(subset_output_name):
logger.error(
f"subset file {yellow(subset_output_name)} already exsits! "
f"remove first or use another name with '-o NAME' flag")
return
logger.info(f'class-averaging {stack_file}..')
ClassAverages.run(stack_file,
output,
n_nbor=classification_nn,
nn_avg=avg_nn)
logger.info(f"saved to {yellow(output)}.")
logger.info(f"saved to {yellow(subset_output_name)}.")
def star_phaseflip_cmd(star_file, output=None):
""" \b
############################
Phaseflip (STAR file)
############################
\b
Apply phase-flip to projections in multiple mrc files having a
STAR file pointing at them.
After phaseflipping them, they will all be saved in 1 MRC file.
Default output will add '_phaseflipped.mrc' to star file basename
\b
Example:
./aspire.py phaseflip ../my_projections/set.star
will produce file set_phaseflipped.mrc
"""
if not star_file.endswith('.star'):
logger.error("input file name doesn't end with '.star'!")
return
if output is None:
# convert 'path/to/foo.star' -> 'foo_phaseflipped.mrc'
output = '_phaseflipped.mrc'.join(star_file.rsplit('.star', 1))
output = os.path.basename(output)
if os.path.exists(output):
logger.error(f"output file {yellow(output)} already exists! "
"Use flag '-o OUTPUT' or remove file.")
return
logger.info("phaseflipping projections..")
stack = PreProcessor.phaseflip_star_file(star_file)
with mrcfile.new(output) as fh:
fh.set_data(stack.astype('float32'))
logger.info(f"saved {yellow(output)}.")